N~1~-(2,3-dimethylcyclohexyl)-N~4~-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
Chemical Structure Depiction of
N~1~-(2,3-dimethylcyclohexyl)-N~4~-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
N~1~-(2,3-dimethylcyclohexyl)-N~4~-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
Compound characteristics
| Compound ID: | C204-0225 |
| Compound Name: | N~1~-(2,3-dimethylcyclohexyl)-N~4~-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide |
| Molecular Weight: | 465.64 |
| Molecular Formula: | C27 H39 N5 O2 |
| Smiles: | CC1CCCC(C1C)NC(CCC(Nc1ccc2c(c1)c(C)cc(n2)N1CCN(C)CC1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7913 |
| logD: | 3.2213 |
| logSw: | -3.9448 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.426 |
| InChI Key: | YPNSPMAWYDCFFB-UHFFFAOYSA-N |