methyl 3-{[1-(6-chloro-3-cyanoquinolin-4-yl)piperidine-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[1-(6-chloro-3-cyanoquinolin-4-yl)piperidine-4-carbonyl]amino}benzoate
methyl 3-{[1-(6-chloro-3-cyanoquinolin-4-yl)piperidine-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | L483-0572 |
| Compound Name: | methyl 3-{[1-(6-chloro-3-cyanoquinolin-4-yl)piperidine-4-carbonyl]amino}benzoate |
| Molecular Weight: | 448.91 |
| Molecular Formula: | C24 H21 Cl N4 O3 |
| Smiles: | COC(c1cccc(c1)NC(C1CCN(CC1)c1c(C#N)cnc2ccc(cc12)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.434 |
| logD: | 4.4332 |
| logSw: | -4.5863 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.263 |
| InChI Key: | YPDCDLJDJMEWCU-UHFFFAOYSA-N |