2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8014-9754 |
| Compound Name: | 2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 380.45 |
| Molecular Formula: | C21 H24 N4 O3 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2N(C)C)c2ccc3c(c2)OCO3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0196 |
| logD: | 2.0196 |
| logSw: | -2.5625 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.027 |
| InChI Key: | BQSYYKXXZAPHMU-GOSISDBHSA-N |