methyl 1-(2-chloro-4-methylanilino)isoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 1-(2-chloro-4-methylanilino)isoquinoline-4-carboxylate
methyl 1-(2-chloro-4-methylanilino)isoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G780-0162 |
| Compound Name: | methyl 1-(2-chloro-4-methylanilino)isoquinoline-4-carboxylate |
| Molecular Weight: | 326.78 |
| Molecular Formula: | C18 H15 Cl N2 O2 |
| Smiles: | Cc1ccc(c(c1)[Cl])Nc1c2ccccc2c(cn1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.8752 |
| logD: | 4.875 |
| logSw: | -4.9161 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.132 |
| InChI Key: | HFCZAOOYEPHXNF-UHFFFAOYSA-N |