Molecule ID: 62275

IUPAC Name: 3,8-dimethylimidazo[4,5-f]quinoxalin-2-amine

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 an amino group. A mutagenic compound found in cooked beef. It has a role as a mutagen, a carcinogenic agent, a genotoxin and a Maillard reaction product. It is an imidazoquinoxaline and an aromatic amine.

SMILES: Cc1cnc2ccc3c([nH]c(=N)n3C)c2n1

SELFIES: [C][C][=C][N][=C][C][=C][C][=C][Branch1][#Branch2][NH1][C][=Branch1][C][=N][N][Ring1][=Branch1][C][C][Ring1][O][=N][Ring1][#C]

InChI: InChI=1S/C11H11N5/c1-6-5-13-7-3-4-8-10(9(7)14-6)15-11(12)16(8)2/h3-5H,1-2H3,(H2,12,15)

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 1.0