4-(3-fluorophenyl)-1-(2-methyl-5-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(3-fluorophenyl)-1-(2-methyl-5-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-(3-fluorophenyl)-1-(2-methyl-5-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-1461 |
| Compound Name: | 4-(3-fluorophenyl)-1-(2-methyl-5-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 468.49 |
| Molecular Formula: | C27 H21 F N4 O3 |
| Smiles: | Cc1ccc(cc1N1C2CCCC(C=2C(C(C#N)=C1n1cccc1)c1cccc(c1)F)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3221 |
| logD: | 5.3221 |
| logSw: | -5.3456 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.634 |
| InChI Key: | FPQSSQVWZQPCHN-RUZDIDTESA-N |