2-amino-1-(dimethylamino)-4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(dimethylamino)-4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(dimethylamino)-4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4404-0320 |
| Compound Name: | 2-amino-1-(dimethylamino)-4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C21 H26 N4 O3 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2N(C)C)c2ccc(c(c2)OC)O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3046 |
| logD: | 1.3042 |
| logSw: | -2.0609 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.09 |
| InChI Key: | WNULWQDVXSBGLN-GOSISDBHSA-N |