1-[3-fluoranyl-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-methyl-8-quinolin-3-yl-imidazo[4,5-c]quinolin-2-one

Systemtic Name: 1-[3-fluoranyl-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-methyl-8-quinolin-3-yl-imidazo[4,5-c]quinolin-2-one Openeye Name: 1-[3-fluoro-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-methyl-8-(3-quinolyl)imidazo[4,5-c]quinolin-2-one CAS Name: 1-[3-fluoro-4-(4-methylsulfonyl-1-piperazinyl)phenyl]-3-methyl-8-(3-quinolinyl)-2-imidazo[4,5-c]quinolinone IUPAC Name: 1-[3-fluoro-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one Traditional Name: 1-[3-fluoro-4-(4-mesylpiperazino)phenyl]-3-methyl-8-(3-quinolyl)imidazo[4,5-c]quinolin-2-one Formula: C31H27FN6O3S MolecularWeight: 582.647883

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CC(=C(C=C4)N5CCN(CC5)S(=O)(=O)C)F)C6=CC7=CC=CC=C7N=C6

Isomeric SMILES

CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CC(=C(C=C4)N5CCN(CC5)S(=O)(=O)C)F)C6=CC7=CC=CC=C7N=C6

InChI

InChI=1S/C31H27FN6O3S/c1-35-29-19-34-27-9-7-20(22-15-21-5-3-4-6-26(21)33-18-22)16-24(27)30(29)38(31(35)39)23-8-10-28(25(32)17-23)36-11-13-37(14-12-36)42(2,40)41/h3-10,15-19H,11-14H2,1-2H3