4-{[6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl]amino}benzoic acid--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-{[6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl]amino}benzoic acid--hydrogen chloride (1/1)
4-{[6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl]amino}benzoic acid--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 4358-1417 |
| Compound Name: | 4-{[6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl]amino}benzoic acid--hydrogen chloride (1/1) |
| Molecular Weight: | 421.28 |
| Molecular Formula: | C20 H17 Cl N2 O4 |
| Salt: | HCl |
| Smiles: | CCOC(c1cnc2c(C)cc(cc2c1Nc1ccc(cc1)C(O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3549 |
| logD: | 2.9597 |
| logSw: | -5.6133 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.54 |
| InChI Key: | ZUDKVGYCPPATKH-UHFFFAOYSA-N |