1-(3-chloro-4-methylanilino)-N-(2-methoxy-5-methylphenyl)isoquinoline-4-carboxamide
Chemical Structure Depiction of
1-(3-chloro-4-methylanilino)-N-(2-methoxy-5-methylphenyl)isoquinoline-4-carboxamide
1-(3-chloro-4-methylanilino)-N-(2-methoxy-5-methylphenyl)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-2024 |
| Compound Name: | 1-(3-chloro-4-methylanilino)-N-(2-methoxy-5-methylphenyl)isoquinoline-4-carboxamide |
| Molecular Weight: | 431.92 |
| Molecular Formula: | C25 H22 Cl N3 O2 |
| Smiles: | Cc1ccc(c(c1)NC(c1cnc(c2ccccc12)Nc1ccc(C)c(c1)[Cl])=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.2716 |
| logD: | 6.268 |
| logSw: | -6.1286 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.68 |
| InChI Key: | QAXJAZFTCVVDRX-UHFFFAOYSA-N |