Record Information |
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Version | 2.0 |
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Created at | 2023-10-08 12:02:31 UTC |
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Updated at | 2024-09-03 04:17:28 UTC |
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NP-MRD ID | NP0331941 |
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Natural Product DOI | https://doi.org/10.57994/1051 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 2-(9-acetoxynonyl)-1H-quinolin-4-one |
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Description | 2-(9-Acetoxynonyl)-1H-quinolin-4-one belongs to the class of organic compounds known as hydroquinolones. Hydroquinolones are compounds containing a hydrogenated quinoline bearing a ketone group. Based on a literature review very few articles have been published on 2-(9-acetoxynonyl)-1H-quinolin-4-one. |
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Structure | CC(=O)OCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1 InChI=1S/C20H27NO3/c1-16(22)24-14-10-6-4-2-3-5-7-11-17-15-20(23)18-12-8-9-13-19(18)21-17/h8-9,12-13,15H,2-7,10-11,14H2,1H3,(H,21,23) |
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Synonyms | Not Available |
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Chemical Formula | C20H27NO3 |
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Average Mass | 329.4400 Da |
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Monoisotopic Mass | 329.19909 Da |
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IUPAC Name | 9-(4-oxo-1,4-dihydroquinolin-2-yl)nonyl acetate |
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Traditional Name | 9-(4-oxo-1H-quinolin-2-yl)nonyl acetate |
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CAS Registry Number | Not Available |
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SMILES | CC(=O)OCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1 |
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InChI Identifier | InChI=1S/C20H27NO3/c1-16(22)24-14-10-6-4-2-3-5-7-11-17-15-20(23)18-12-8-9-13-19(18)21-17/h8-9,12-13,15H,2-7,10-11,14H2,1H3,(H,21,23) |
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InChI Key | RDAASLPRCOJMOJ-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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| 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 | Not Available |
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Chemical Taxonomy |
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Description | This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone 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 | Quinolones and derivatives |
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Direct Parent | Hydroquinolones |
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Alternative Parents | |
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Substituents | - Dihydroquinolone
- Dihydroquinoline
- 2-halopyridine
- Methylpyridine
- Tetrahydropyridine
- Alpha-branched alpha,beta-unsaturated-ketone
- Benzenoid
- Pyridine
- Heteroaromatic compound
- Vinylogous amide
- Alpha,beta-unsaturated ketone
- Enone
- Acryloyl-group
- Ketone
- Carboxylic acid ester
- Amino acid or derivatives
- Azacycle
- Secondary amine
- Monocarboxylic acid or derivatives
- Secondary aliphatic amine
- 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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