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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CC=C3)Cl)C(=O)OC4CCCC4 |
|---|---|
| IUPAC Name | cyclopentyl 4-(3-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate |
| InChIKey | CGHNIBNLVHUTOI-UHFFFAOYSA-N |
| INCHI | 1S/C22H24ClNO3/c1-13-19(22(26)27-16-8-2-3-9-16)20(14-6-4-7-15(23)12-14)21-17(24-13)10-5-11-18(21)25/h4,6-7,12,16,20,24H,2-3,5,8-11H2,1H3 |
| Molecular Weight | 385.9 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Phenylquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylquinolines |
| Alternative Parents | Dihydropyridines Cyclohexenones Chlorobenzenes Aryl chlorides Vinylogous amides Enoate esters Amino acids and derivatives Monocarboxylic acids and derivatives Enamines Dialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylquinoline - Chlorobenzene - Cyclohexenone - Dihydropyridine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Amino acid or derivatives - Carboxylic acid ester - Ketone - Secondary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Azacycle - Enamine - Organochloride - Hydrocarbon derivative - Organic oxide - Amine - Organohalogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 385.900 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 385.144 Da |
| Monoisotopic Mass | 385.144 Da |
| Topological Polar Surface Area | 55.400 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 690.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
