1-(2-methyl-5-nitrophenyl)-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-(2-methyl-5-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-(2-methyl-5-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-1602 |
| Compound Name: | 1-(2-methyl-5-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 451.48 |
| Molecular Formula: | C26 H21 N5 O3 |
| Smiles: | Cc1ccc(cc1N1C2CCCC(C=2C(C(C#N)=C1n1cccc1)c1cccnc1)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1643 |
| logD: | 4.1643 |
| logSw: | -4.0964 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 79.152 |
| InChI Key: | BXXISQVWMWDCIA-DEOSSOPVSA-N |