N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}-3-{2-[(propan-2-yl)oxy]phenyl}prop-2-enamide
Chemical Structure Depiction of
N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}-3-{2-[(propan-2-yl)oxy]phenyl}prop-2-enamide
N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}-3-{2-[(propan-2-yl)oxy]phenyl}prop-2-enamide
Compound characteristics
| Compound ID: | C095-0492 |
| Compound Name: | N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}-3-{2-[(propan-2-yl)oxy]phenyl}prop-2-enamide |
| Molecular Weight: | 508.62 |
| Molecular Formula: | C30 H32 N6 O2 |
| Smiles: | CC(C)Oc1ccccc1/C=C/C(Nc1ccc2c(c1)c(C)cc(n2)N1CCN(CC1)c1ncccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6478 |
| logD: | 6.6466 |
| logSw: | -5.6789 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.875 |
| InChI Key: | XNBNYWSXBWNQEZ-UHFFFAOYSA-N |