Molecule ID: 135563660

IUPAC Name: 3-methyl-8-pyridin-3-yl-1-(4-pyrrol-1-ylphenyl)imidazo[4,5-c]quinolin-2-one

Description: The molecule is an imidazoquinoline that is 1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one which is substituted at positions 1, 3, and 8 by by p-(pyrrol-1-yl)phenyl, methyl, and pyridin-3-yl group, respectively. A potent and specific inhibitor of Target Of Rapamycin Complex 2 (TORC2). It has a role as a protein kinase inhibitor. It is an imidazoquinoline, a member of pyrroles, a member of pyridines and a member of phenylureas.

SMILES: Cn1c(=O)n(-c2ccc(-n3cccc3)cc2)c2c3cc(-c4cccnc4)ccc3ncc21

SELFIES: [C][N][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][=C][Ring1][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=N][C][=C][Ring1][S][Ring2][Ring1][#C]

InChI: InChI=1S/C26H19N5O/c1-29-24-17-28-23-11-6-18(19-5-4-12-27-16-19)15-22(23)25(24)31(26(29)32)21-9-7-20(8-10-21)30-13-2-3-14-30/h2-17H,1H3

Molecular Properties:
- Polar Surface Area: 54.3 Ų
- LogP: 3.7