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7-chloro-2-hydroxy-3-phenylquinolin-4(1H)-one - ≥95%, high purity , CAS No.28563-19-1
Basic Description
Specifications & Purity
≥95%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Phenylquinolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylquinolines
Alternative Parents
Phenylpyridines Hydroxyquinolones Chloroquinolines Hydroquinolones Hydroxyquinolines Hydroquinolines Pyridinones Hydroxypyridines Aryl chlorides Benzene and substituted derivatives Vinylogous acids Heteroaromatic compounds Lactams Azacyclic compounds Organochlorides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylquinoline - Hydroxyquinolone - 3-phenylpyridine - Haloquinoline - Chloroquinoline - Dihydroquinolone - Hydroxyquinoline - Dihydroquinoline - Hydroxypyridine - Pyridinone - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Aryl chloride - Heteroaromatic compound - Vinylogous acid - Lactam - Azacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - 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
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
7-chloro-4-hydroxy-3-phenyl-1H-quinolin-2-one
INCHI
InChI=1S/C15H10ClNO2/c16-10-6-7-11-12(8-10)17-15(19)13(14(11)18)9-4-2-1-3-5-9/h1-8H,(H2,17,18,19)
InChIKey
RDXQSWLUXKUQSI-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)C2=C(C3=C(C=C(C=C3)Cl)NC2=O)O
Isomeric SMILES
C1=CC=C(C=C1)C2=C(C3=C(C=C(C=C3)Cl)NC2=O)O
PubChem CID
54697468
Molecular Weight
271.7
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
271.700 g/mol
XLogP3
3.000
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
271.04 Da
Monoisotopic Mass
271.04 Da
Topological Polar Surface Area
49.300 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
401.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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