2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(dimethylamino)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(dimethylamino)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(dimethylamino)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8015-1489 |
| Compound Name: | 2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(dimethylamino)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C25 H24 N4 O3 |
| Smiles: | CN(C)N1C2CC(CC(C=2C(C(C#N)=C1N)c1ccc2c(c1)OCO2)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1311 |
| logD: | 3.1311 |
| logSw: | -3.2483 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.756 |
| InChI Key: | BILWNWRGBKQPNH-UHFFFAOYSA-N |