methyl 1-(5-chloro-2,4-dimethoxyanilino)isoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 1-(5-chloro-2,4-dimethoxyanilino)isoquinoline-4-carboxylate
methyl 1-(5-chloro-2,4-dimethoxyanilino)isoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | 3909-9696 |
| Compound Name: | methyl 1-(5-chloro-2,4-dimethoxyanilino)isoquinoline-4-carboxylate |
| Molecular Weight: | 372.81 |
| Molecular Formula: | C19 H17 Cl N2 O4 |
| Smiles: | COC(c1cnc(c2ccccc12)Nc1cc(c(cc1OC)OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4502 |
| logD: | 4.4438 |
| logSw: | -4.5635 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.393 |
| InChI Key: | XFHLVZWZQHVFQQ-UHFFFAOYSA-N |