N-(2-chloro-4-fluorophenyl)-1-(2-methoxyanilino)isoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2-chloro-4-fluorophenyl)-1-(2-methoxyanilino)isoquinoline-4-carboxamide
N-(2-chloro-4-fluorophenyl)-1-(2-methoxyanilino)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C138-0719 |
| Compound Name: | N-(2-chloro-4-fluorophenyl)-1-(2-methoxyanilino)isoquinoline-4-carboxamide |
| Molecular Weight: | 421.86 |
| Molecular Formula: | C23 H17 Cl F N3 O2 |
| Smiles: | COc1ccccc1Nc1c2ccccc2c(cn1)C(Nc1ccc(cc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5477 |
| logD: | 5.4311 |
| logSw: | -5.9949 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.982 |
| InChI Key: | YKMQJHIWRYLELE-UHFFFAOYSA-N |