ethyl 1-(5-chloro-2-methylanilino)isoquinoline-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(5-chloro-2-methylanilino)isoquinoline-4-carboxylate
ethyl 1-(5-chloro-2-methylanilino)isoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G780-0780 |
| Compound Name: | ethyl 1-(5-chloro-2-methylanilino)isoquinoline-4-carboxylate |
| Molecular Weight: | 340.81 |
| Molecular Formula: | C19 H17 Cl N2 O2 |
| Smiles: | CCOC(c1cnc(c2ccccc12)Nc1cc(ccc1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1522 |
| logD: | 5.152 |
| logSw: | -5.3483 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.712 |
| InChI Key: | WTPRAHMJSPDEFA-UHFFFAOYSA-N |