A1I1V

2-amino-6-chloro-3-phenyl-1H-quinolin-4-one

Created:	2025-02-13
Last modified:	2025-12-17

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	12

2D diagram of A1I1V

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Chemical Component Summary
Name	2-amino-6-chloro-3-phenyl-1H-quinolin-4-one
Synonyms	2-azanyl-6-chloranyl-3-phenyl-1H-quinolin-4-one
Systematic Name (OpenEye OEToolkits)	2-azanyl-6-chloranyl-3-phenyl-1~{H}-quinolin-4-one
Formula	C₁₅ H₁₁ Cl N₂ O
Molecular Weight	270.714
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC1=C(C(=O)c2cc(Cl)ccc2N1)c3ccccc3
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C2=C(Nc3ccc(cc3C2=O)Cl)N
Canonical SMILES	CACTVS	3.385	NC1=C(C(=O)c2cc(Cl)ccc2N1)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C2=C(Nc3ccc(cc3C2=O)Cl)N
InChI	InChI	1.06	InChI=1S/C15H11ClN2O/c16-10-6-7-12-11(8-10)14(19)13(15(17)18-12)9-4-2-1-3-5-9/h1-8H,(H3,17,18,19)
InChIKey	InChI	1.06	BQEKTAOKRNWDNE-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.