2-amino-1-[4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-[4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-[4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y021-0423 |
| Compound Name: | 2-amino-1-[4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 544.05 |
| Molecular Formula: | C30 H30 Cl N5 O3 |
| Smiles: | Cc1c(c2ccc(cc2)[Cl])c([nH]n1)N1C2CC(C)(C)CC(C=2C(C(C#N)=C1N)c1ccc(c(c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5783 |
| logD: | 4.5783 |
| logSw: | -5.16 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.637 |
| InChI Key: | ILDPNGZSBGCWML-SANMLTNESA-N |