NP-MRD: Showing NP-Card for 1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-methylbut-3-en-2-yl acetate (NP0191502)

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Record Information

Version

2.0

Created at

2022-09-04 08:29:37 UTC

Updated at

2022-09-04 08:29:37 UTC

NP-MRD ID

NP0191502

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-methylbut-3-en-2-yl acetate

Description

1-(4-Methoxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-3-methylbut-3-en-2-yl acetate belongs to the class of organic compounds known as hydroquinolones. Hydroquinolones are compounds containing a hydrogenated quinoline bearing a ketone group. 1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-methylbut-3-en-2-yl acetate is found in Skimmia laureola. 1-(4-Methoxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-3-methylbut-3-en-2-yl acetate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 44 45  0  0  0  0  0  0  0  0999 V2000
   -3.0608   -0.8627   -2.8879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2542   -0.2964   -1.7071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6401   -0.0650   -1.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0798    0.1139   -0.9034 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8273   -0.2160   -1.6472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3989    0.1576   -0.9127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8840   -0.5888    0.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2850   -1.7416    0.5868 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6855   -2.9795    0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0314   -0.1550    0.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5331   -0.8897    1.8268 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6821   -0.5014    2.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3066    0.6496    2.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7989    1.3796    1.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486    0.9931    0.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000    1.7359   -0.6712 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8336    2.9415   -1.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0835    1.3145   -1.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6120    1.9787   -2.2620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1392   -0.5549    0.3448 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3075    0.1854    1.4935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3796   -0.4452    2.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4030    1.4344    1.3881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1038   -1.0445   -3.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9421   -1.1542   -3.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8594    1.0309   -1.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7722   -0.5497   -0.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3553   -0.5243   -1.8669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1982    1.2292   -0.7525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8074   -1.3040   -1.8011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8580    0.3767   -2.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4256   -3.1392   -0.9969 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125   -3.0560    0.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2979   -3.8233    0.6852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0316   -1.8037    2.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0810   -1.0837    3.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2133    0.9654    2.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2818    2.2723    0.6889 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1763    3.4659   -1.8573 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9549    3.6374   -0.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7805    2.7554   -1.6760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2595   -1.1039    2.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3331    0.3420    3.6264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -1.0765    3.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  8  1  0
  8  7  1  0
  7  6  2  0
  6  5  1  0
  5  4  1  0
  4 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
  4  2  1  0
  2  3  1  0
  2  1  2  3
  6 18  1  0
 18 19  2  0
 18 16  1  0
 16 17  1  0
 16 15  1  0
 15 14  2  0
 14 13  1  0
 13 12  2  0
 12 11  1  0
 11 10  2  0
 10  7  1  0
 10 15  1  0
  9 32  1  0
  9 33  1  0
  9 34  1  0
  5 30  1  0
  5 31  1  0
  4 29  1  1
 22 42  1  0
 22 43  1  0
 22 44  1  0
  3 26  1  0
  3 27  1  0
  3 28  1  0
  1 24  1  0
  1 25  1  0
 17 39  1  0
 17 40  1  0
 17 41  1  0
 14 38  1  0
 13 37  1  0
 12 36  1  0
 11 35  1  0
M  END


  Mrv1533004241517322D          

 23 24  0  0  0  0            999 V2000
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
  3 23  1  0  0  0  0
 18 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0191502

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(CC(OC(C)=O)C(C)=C)C(=O)N(C)C2=CC=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C18H21NO4/c1-11(2)16(23-12(3)20)10-14-17(22-5)13-8-6-7-9-15(13)19(4)18(14)21/h6-9,16H,1,10H2,2-5H3

> <INCHI_KEY>
IMKUHLXTRHRPOE-UHFFFAOYSA-N

> <FORMULA>
C18H21NO4

> <MOLECULAR_WEIGHT>
315.369

> <EXACT_MASS>
315.14705816

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
33.3939306699887

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-(4-methoxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-3-methylbut-3-en-2-yl acetate

> <ALOGPS_LOGP>
2.51

> <JCHEM_LOGP>
1.699433013666667

> <ALOGPS_LOGS>
-3.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.6782125448245172

> <JCHEM_POLAR_SURFACE_AREA>
55.84

> <JCHEM_REFRACTIVITY>
88.19180000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.46e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-methylbut-3-en-2-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       5.335   0.000   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.667  -7.700   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   16  N   UNK     0       1.334  -2.310   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   23                                                  
CONECT    4    3    5   14                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   11                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    6   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14    4   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   23                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22    3   18                                                  
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

View in JSmol

Synonyms

Value	Source
1-(4-Methoxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-3-methylbut-3-en-2-yl acetic acid	Generator

Chemical Formula

C₁₈H₂₁NO₄

Average Mass

315.3690 Da

Monoisotopic Mass

315.14706 Da

IUPAC Name

1-(4-methoxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-3-methylbut-3-en-2-yl acetate

Traditional Name

1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-methylbut-3-en-2-yl acetate

CAS Registry Number

Not Available

SMILES

COC1=C(CC(OC(C)=O)C(C)=C)C(=O)N(C)C2=CC=CC=C12

InChI Identifier

InChI=1S/C18H21NO4/c1-11(2)16(23-12(3)20)10-14-17(22-5)13-8-6-7-9-15(13)19(4)18(14)21/h6-9,16H,1,10H2,2-5H3

InChI Key

IMKUHLXTRHRPOE-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Skimmia laureola	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydroquinolones. Hydroquinolones are compounds containing a hydrogenated quinoline bearing a ketone group.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Quinolines and derivatives

Sub Class

Quinolones and derivatives

Direct Parent

Hydroquinolones

Alternative Parents

Substituents

Dihydroquinolone
Dihydroquinoline
Alkyl aryl ether
Pyridinone
Pyridine
Benzenoid
Heteroaromatic compound
Vinylogous ester
Carboxylic acid ester
Lactam
Carboxylic acid derivative
Ether
Monocarboxylic acid or derivatives
Azacycle
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Carbonyl group
Organonitrogen compound
Organooxygen compound
Organic nitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	2.51	ALOGPS
logP	1.7	ChemAxon
logS	-3.1	ALOGPS
pKa (Strongest Basic)	-0.68	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	55.84 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	88.19 m³·mol⁻¹	ChemAxon
Polarizability	33.39 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

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References

General References

LOTUS database [Link]

Showing NP-Card for 1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-methylbut-3-en-2-yl acetate (NP0191502)

MOL for NP0191502 (1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-methylbut-3-en-2-yl acetate)

3D MOL for NP0191502 (1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-methylbut-3-en-2-yl acetate)

3D SDF for NP0191502 (1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-methylbut-3-en-2-yl acetate)

3D-SDF for NP0191502 (1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-methylbut-3-en-2-yl acetate)

PDB for NP0191502 (1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-methylbut-3-en-2-yl acetate)

3D PDB for NP0191502 (1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-methylbut-3-en-2-yl acetate)

SMILES for NP0191502 (1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-methylbut-3-en-2-yl acetate)

INCHI for NP0191502 (1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-methylbut-3-en-2-yl acetate)

Structure for NP0191502 (1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-methylbut-3-en-2-yl acetate)

3D Structure for NP0191502 (1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-methylbut-3-en-2-yl acetate)