2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(dimethylamino)-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)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(dimethylamino)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8014-9785 |
| Compound Name: | 2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(dimethylamino)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C19 H20 N4 O3 |
| Smiles: | CN(C)N1C2CCCC(C=2C(C(C#N)=C1N)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3946 |
| logD: | 1.3946 |
| logSw: | -2.1171 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.027 |
| InChI Key: | JAFLQWHWQRSYEK-QGZVFWFLSA-N |