methyl 3-{[1-(3-cyano-6-methylquinolin-4-yl)piperidine-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[1-(3-cyano-6-methylquinolin-4-yl)piperidine-4-carbonyl]amino}benzoate
methyl 3-{[1-(3-cyano-6-methylquinolin-4-yl)piperidine-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | L483-0668 |
| Compound Name: | methyl 3-{[1-(3-cyano-6-methylquinolin-4-yl)piperidine-4-carbonyl]amino}benzoate |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C25 H24 N4 O3 |
| Smiles: | Cc1ccc2c(c1)c(c(C#N)cn2)N1CCC(CC1)C(Nc1cccc(c1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2117 |
| logD: | 4.2078 |
| logSw: | -4.1041 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.263 |
| InChI Key: | PHUMDHLTZBKBMK-UHFFFAOYSA-N |