1-(3-chloro-4-methylanilino)-N-[3-(4-ethylpiperazin-1-yl)propyl]isoquinoline-4-carboxamide
Chemical Structure Depiction of
1-(3-chloro-4-methylanilino)-N-[3-(4-ethylpiperazin-1-yl)propyl]isoquinoline-4-carboxamide
1-(3-chloro-4-methylanilino)-N-[3-(4-ethylpiperazin-1-yl)propyl]isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-2009 |
| Compound Name: | 1-(3-chloro-4-methylanilino)-N-[3-(4-ethylpiperazin-1-yl)propyl]isoquinoline-4-carboxamide |
| Molecular Weight: | 466.03 |
| Molecular Formula: | C26 H32 Cl N5 O |
| Smiles: | CCN1CCN(CCCNC(c2cnc(c3ccccc23)Nc2ccc(C)c(c2)[Cl])=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.6538 |
| logD: | 3.7055 |
| logSw: | -4.7174 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.431 |
| InChI Key: | QAQMCLUDRDVJNF-UHFFFAOYSA-N |