CNQ

3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE

Created:	2004-08-25
Last modified:	2021-03-01

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2 entries where CNQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	18

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Chemical Component Summary
Name	3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE
Synonyms	2-(4-CHLOROPHENYL)-5-QUINOXALINECARBOXAMIDE
Systematic Name (OpenEye OEToolkits)	3-(4-chlorophenyl)quinoxaline-5-carboxamide
Formula	C₁₅ H₁₀ Cl N₃ O
Molecular Weight	283.712
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc3ccc(c1nc2c(cccc2nc1)C(=O)N)cc3
SMILES	CACTVS	3.341	NC(=O)c1cccc2ncc(nc12)c3ccc(Cl)cc3
SMILES	OpenEye OEToolkits	1.5.0	c1cc(c2c(c1)ncc(n2)c3ccc(cc3)Cl)C(=O)N
Canonical SMILES	CACTVS	3.341	NC(=O)c1cccc2ncc(nc12)c3ccc(Cl)cc3
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(c2c(c1)ncc(n2)c3ccc(cc3)Cl)C(=O)N
InChI	InChI	1.03	InChI=1S/C15H10ClN3O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,(H2,17,20)
InChIKey	InChI	1.03	FLYGLPYJEQPCFY-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03509
Name	2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide
Groups	experimental
Synonyms	2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide
Categories	Antineoplastic Agents Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Poly(ADP-ribose) Polymerase Inhibitors

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Poly [ADP-ribose] polymerase 1	MAESSDKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPH...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682