3-[4-(3-methylbutoxy)phenyl]-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}prop-2-enamide
Chemical Structure Depiction of
3-[4-(3-methylbutoxy)phenyl]-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}prop-2-enamide
3-[4-(3-methylbutoxy)phenyl]-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}prop-2-enamide
Compound characteristics
| Compound ID: | C095-0489 |
| Compound Name: | 3-[4-(3-methylbutoxy)phenyl]-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}prop-2-enamide |
| Molecular Weight: | 536.68 |
| Molecular Formula: | C32 H36 N6 O2 |
| Smiles: | CC(C)CCOc1ccc(/C=C/C(Nc2ccc3c(c2)c(C)cc(n3)N2CCN(CC2)c2ncccn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.6687 |
| logD: | 7.6666 |
| logSw: | -5.6739 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.403 |
| InChI Key: | GCYBOPDJCIXSPU-UHFFFAOYSA-N |