| Record Information |
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| Version | 2.0 |
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| Created at | 2024-07-03 10:48:40 UTC |
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| Updated at | 2025-01-24 23:35:15 UTC |
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| NP-MRD ID | NP0333544 |
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| Natural Product DOI | https://doi.org/10.57994/3013 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | N-hydroxy-3-((6-methoxy-3,3-dimethyl-7-oxo-3H-pyrano[2,3-c]acridin-12(7H)-yl)methyl)benzamide |
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| Description | N-hydroxy-3-((6-methoxy-3,3-dimethyl-7-oxo-3H-pyrano[2,3-c]acridin-12(7H)-yl)methyl)benzamide belongs to the class of organic compounds known as 1-benzylquinolines. These are organic aromatic compounds containing a quinoline that is substituted at the 1-position by a benzyl group. Based on a literature review very few articles have been published on N-hydroxy-3-((6-methoxy-3,3-dimethyl-7-oxo-3H-pyrano[2,3-c]acridin-12(7H)-yl)methyl)benzamide. |
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| Structure | COC1=CC2=C(C=CC(C)(C)O2)C2=C1C(=O)C1=CC=CC=C1N2CC1=CC=CC(=C1)C(=O)NO InChI=1S/C27H24N2O5/c1-27(2)12-11-19-21(34-27)14-22(33-3)23-24(19)29(20-10-5-4-9-18(20)25(23)30)15-16-7-6-8-17(13-16)26(31)28-32/h4-14,32H,15H2,1-3H3,(H,28,31) |
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| Synonyms | Not Available |
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| Chemical Formula | C27H24N2O5 |
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| Average Mass | 456.4980 Da |
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| Monoisotopic Mass | 456.16852 Da |
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| IUPAC Name | N-hydroxy-3-[(11-methoxy-2,2-dimethyl-10-oxo-5,10-dihydro-2H-1-oxa-5-azatetraphen-5-yl)methyl]benzamide |
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| Traditional Name | N-hydroxy-3-[(11-methoxy-2,2-dimethyl-10-oxo-1-oxa-5-azatetraphen-5-yl)methyl]benzamide |
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| CAS Registry Number | Not Available |
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| SMILES | COC1=CC2=C(C=CC(C)(C)O2)C2=C1C(=O)C1=CC=CC=C1N2CC1=CC=CC(=C1)C(=O)NO |
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| InChI Identifier | InChI=1S/C27H24N2O5/c1-27(2)12-11-19-21(34-27)14-22(33-3)23-24(19)29(20-10-5-4-9-18(20)25(23)30)15-16-7-6-8-17(13-16)26(31)28-32/h4-14,32H,15H2,1-3H3,(H,28,31) |
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| InChI Key | RWHFHZBGUHIWHX-UHFFFAOYSA-N |
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| Experimental Spectra |
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| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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| 1D NMR | 1H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental) | kavyateja74@gmail.com | NIPER-Ahmedabad | Parusu Kavya Teja | 2024-07-03 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental) | kavyateja74@gmail.com | NIPER-Ahmedabad | Parusu Kavya Teja | 2024-07-03 | View Spectrum |
| | Predicted Spectra |
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| Not Available | | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | | Species Name | Source | Reference |
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| NA NA | | |
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| Chemical Taxonomy |
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| Description | This compound belongs to the class of organic compounds known as 1-benzylquinolines. These are organic aromatic compounds containing a quinoline that is substituted at the 1-position by a benzyl group. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Quinolines and derivatives |
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| Sub Class | 1-benzylquinolines |
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| Direct Parent | 1-benzylquinolines |
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| Alternative Parents | |
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| Substituents | - 1-benzylquinoline
- Acridone
- Chromenopyridine
- Benzoquinoline
- Acridine
- 2,2-dimethyl-1-benzopyran
- 1-benzopyran
- Benzopyran
- Benzoic acid or derivatives
- Benzoyl
- Anisole
- Methylpyridine
- Hydroxypyridine
- Tetrahydropyridine
- Alkyl aryl ether
- Alpha-branched alpha,beta-unsaturated-ketone
- Benzenoid
- Pyridine
- Pyran
- Beta-aminoketone
- Monocyclic benzene moiety
- Heteroaromatic compound
- Vinylogous ester
- Vinylogous amide
- Alpha,beta-unsaturated ketone
- Enone
- Acryloyl-group
- Tertiary aliphatic amine
- Tertiary amine
- Ketone
- Hydroxamic acid
- Amino acid or derivatives
- Oxacycle
- Azacycle
- Ether
- Enamine
- Carboxylic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Amine
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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