N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide
N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-1625 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide |
| Molecular Weight: | 431.92 |
| Molecular Formula: | C25 H22 Cl N3 O2 |
| Smiles: | COc1ccccc1Nc1c2ccccc2c(cn1)C(NCCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4082 |
| logD: | 5.0751 |
| logSw: | -5.9915 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.844 |
| InChI Key: | QJCUZLGKLFSPFK-UHFFFAOYSA-N |