2-amino-1-(4-bromo-2-methylphenyl)-4-{4-methoxy-3-[(pyrrolidin-1-yl)methyl]phenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(4-bromo-2-methylphenyl)-4-{4-methoxy-3-[(pyrrolidin-1-yl)methyl]phenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(4-bromo-2-methylphenyl)-4-{4-methoxy-3-[(pyrrolidin-1-yl)methyl]phenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-2174 |
| Compound Name: | 2-amino-1-(4-bromo-2-methylphenyl)-4-{4-methoxy-3-[(pyrrolidin-1-yl)methyl]phenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 575.55 |
| Molecular Formula: | C31 H35 Br N4 O2 |
| Smiles: | Cc1cc(ccc1N1C2CC(C)(C)CC(C=2C(C(C#N)=C1N)c1ccc(c(CN2CCCC2)c1)OC)=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3852 |
| logD: | 3.2732 |
| logSw: | -5.412 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.805 |
| InChI Key: | GOAREVYZSASUOU-NDEPHWFRSA-N |