ethyl 1-(3-chloroanilino)isoquinoline-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(3-chloroanilino)isoquinoline-4-carboxylate
ethyl 1-(3-chloroanilino)isoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G780-0397 |
| Compound Name: | ethyl 1-(3-chloroanilino)isoquinoline-4-carboxylate |
| Molecular Weight: | 326.78 |
| Molecular Formula: | C18 H15 Cl N2 O2 |
| Smiles: | CCOC(c1cnc(c2ccccc12)Nc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1318 |
| logD: | 5.1317 |
| logSw: | -5.3713 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.41 |
| InChI Key: | RJFXMGQRIYUSEN-UHFFFAOYSA-N |