2-amino-1-(4-fluorophenyl)-4-{4-methoxy-3-[(morpholin-4-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-fluorophenyl)-4-{4-methoxy-3-[(morpholin-4-yl)methyl]phenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(4-fluorophenyl)-4-{4-methoxy-3-[(morpholin-4-yl)methyl]phenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-4871 |
| Compound Name: | 2-amino-1-(4-fluorophenyl)-4-{4-methoxy-3-[(morpholin-4-yl)methyl]phenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 516.62 |
| Molecular Formula: | C30 H33 F N4 O3 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2ccc(cc2)F)c2ccc(c(CN3CCOCC3)c2)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2087 |
| logD: | 3.1396 |
| logSw: | -3.2279 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.648 |
| InChI Key: | APWLBKHNDIULAS-MHZLTWQESA-N |