1-(3-chloro-4-fluorophenyl)-5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
1-(3-chloro-4-fluorophenyl)-5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-(3-chloro-4-fluorophenyl)-5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-5266 |
| Compound Name: | 1-(3-chloro-4-fluorophenyl)-5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 444.89 |
| Molecular Formula: | C25 H18 Cl F N4 O |
| Smiles: | C1CC2=C(C(C(C#N)=C(N2c2ccc(c(c2)[Cl])F)n2cccc2)c2cccnc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1877 |
| logD: | 4.1877 |
| logSw: | -4.5929 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 46.072 |
| InChI Key: | KYPSPQUDWLWQKX-QHCPKHFHSA-N |