methyl 1-(4-chloro-2-methoxyanilino)isoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 1-(4-chloro-2-methoxyanilino)isoquinoline-4-carboxylate
methyl 1-(4-chloro-2-methoxyanilino)isoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C066-1688 |
| Compound Name: | methyl 1-(4-chloro-2-methoxyanilino)isoquinoline-4-carboxylate |
| Molecular Weight: | 342.78 |
| Molecular Formula: | C18 H15 Cl N2 O3 |
| Smiles: | COC(c1cnc(c2ccccc12)Nc1ccc(cc1OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8096 |
| logD: | 4.8032 |
| logSw: | -4.8858 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.763 |
| InChI Key: | GSPFOIXYTDECCP-UHFFFAOYSA-N |