2-(acetoxyamino)-3-methylimidazo[4,5-f]quinoline (CHEBI:133918)

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ChEBI Name	2-(acetoxyamino)-3-methylimidazo[4,5-f]quinoline

ChEBI ID	CHEBI:133918

ChEBI ASCII Name	2-(acetoxyamino)-3-methylimidazo[4,5-f]quinoline

Definition	An imidazoquinoline that is 3H-imidazo[4,5-f]quinoline substituted by a methyl group at position 3 and an acetoxyamino group at position 2. The active metabolite of the dietary carcinogen 3-methyl-3H-imidazo[4,5-f]quinolin-2-amine (IQ).

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C13H12N4O2

Net Charge

Average Mass

256.260

Monoisotopic Mass

256.09603

InChI

InChI=1S/C13H12N4O2/c1-8(18)19-16-13-15-12-9-4-3-7-14-10(9)5-6-11(12)17(13)2/h3-7H,1-2H3,(H,15,16)

InChIKey

ZNLLBBZONQYLII-UHFFFAOYSA-N

SMILES

C12=C(C=CC3=C1N=C(N3C)NOC(C)=O)N=CC=C2

Roles Classification
Biological Role(s):	rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. carcinogenic agent A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.

ChEBI Ontology
Outgoing	2-(acetoxyamino)-3-methylimidazo[4,5-f]quinoline (CHEBI:133918) has role carcinogenic agent (CHEBI:50903) 2-(acetoxyamino)-3-methylimidazo[4,5-f]quinoline (CHEBI:133918) has role human xenobiotic metabolite (CHEBI:76967) 2-(acetoxyamino)-3-methylimidazo[4,5-f]quinoline (CHEBI:133918) has role rat metabolite (CHEBI:86264) 2-(acetoxyamino)-3-methylimidazo[4,5-f]quinoline (CHEBI:133918) is a N-acetoxyarylamine (CHEBI:21494) 2-(acetoxyamino)-3-methylimidazo[4,5-f]quinoline (CHEBI:133918) is a imidazoquinoline (CHEBI:38776)

IUPAC Name

1-{[(Z)-(3-methyl-1,3-dihydro-2H-imidazo[4,5-f]quinolin-2-ylidene)amino]oxy}ethanone

Synonym	Source
N-Acetoxy-IQ	KEGG COMPOUND

Registry Number	Type	Source
115722-78-6	CAS Registry Number	KEGG COMPOUND

Last Modified

20 April 2017