1-(4-methyl-2-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-(4-methyl-2-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-(4-methyl-2-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: | 8017-1458 |
| Compound Name: | 1-(4-methyl-2-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(c(c1)[N+]([O-])=O)N1C2CCCC(C=2C(C(C#N)=C1n1cccc1)c1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8898 |
| logD: | 3.8897 |
| logSw: | -3.7946 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 78.851 |
| InChI Key: | YYGFYCDPGDISEB-DEOSSOPVSA-N |