Molecule ID: 115104

IUPAC Name: N-(3,8-dimethylimidazo[4,5-f]quinoxalin-2-yl)hydroxylamine

Description: The molecule is an imidazoquinoxaline that is 3H-imidazo[4,5-f]quinoxaline substituted at positions 3 and 8 by methyl groups and at position 2 by a hydroxyamino group. The active metabolite of the dietary carcinogen MeIQx. It has a role as a human xenobiotic metabolite, a human urinary metabolite, a mutagen, a carcinogenic agent, a genotoxin and a rat metabolite. It is an imidazoquinoxaline and a hydroxylamine. It derives from a MeIQx.

SMILES: Cc1cnc2ccc3c(nc(NO)n3C)c2n1

SELFIES: [C][C][=C][N][=C][C][=C][C][=C][Branch1][O][N][=C][Branch1][Ring1][N][O][N][Ring1][#Branch1][C][C][Ring1][N][=N][Ring1][S]

InChI: InChI=1S/C11H11N5O/c1-6-5-12-7-3-4-8-10(9(7)13-6)14-11(15-17)16(8)2/h3-5,17H,1-2H3,(H,14,15)

Molecular Properties:
- Polar Surface Area: 75.9 Ų
- LogP: 1.2