2-amino-1-(2-cyanophenyl)-4-(3-hydroxy-4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(2-cyanophenyl)-4-(3-hydroxy-4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(2-cyanophenyl)-4-(3-hydroxy-4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8009-9083 |
| Compound Name: | 2-amino-1-(2-cyanophenyl)-4-(3-hydroxy-4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C26 H24 N4 O3 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2ccccc2C#N)c2ccc(c(c2)O)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.844 |
| logD: | 2.824 |
| logSw: | -3.3926 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.311 |
| InChI Key: | ADHGCZFFRNVGHV-HSZRJFAPSA-N |