8-fluoro-4,4,6-trimethyl-1-{2-[4-methyl-5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-2-oxoethylidene}-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Chemical Structure Depiction of
8-fluoro-4,4,6-trimethyl-1-{2-[4-methyl-5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-2-oxoethylidene}-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
8-fluoro-4,4,6-trimethyl-1-{2-[4-methyl-5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-2-oxoethylidene}-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Compound characteristics
| Compound ID: | Y021-3511 |
| Compound Name: | 8-fluoro-4,4,6-trimethyl-1-{2-[4-methyl-5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-2-oxoethylidene}-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one |
| Molecular Weight: | 539.65 |
| Molecular Formula: | C32 H34 F N5 O2 |
| Smiles: | Cc1c(cnc(C(\C=C2C(N3c4c/2cc(cc4C(C)(CC3(C)C)c2ccccc2)F)=O)=O)n1)N1CCN(C)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7598 |
| logD: | 3.5729 |
| logSw: | -4.5986 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.695 |
| InChI Key: | ZKICXXNGHKCOGU-YTTGMZPUSA-N |