3-(4-ethoxy-3-methoxyphenyl)-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}prop-2-enamide
Chemical Structure Depiction of
3-(4-ethoxy-3-methoxyphenyl)-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}prop-2-enamide
3-(4-ethoxy-3-methoxyphenyl)-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}prop-2-enamide
Compound characteristics
| Compound ID: | C095-0490 |
| Compound Name: | 3-(4-ethoxy-3-methoxyphenyl)-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}prop-2-enamide |
| Molecular Weight: | 524.62 |
| Molecular Formula: | C30 H32 N6 O3 |
| Smiles: | CCOc1ccc(/C=C/C(Nc2ccc3c(c2)c(C)cc(n3)N2CCN(CC2)c2ncccn2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 6.0179 |
| logD: | 6.0158 |
| logSw: | -5.5724 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.826 |
| InChI Key: | BMNIDZCRWUVUAH-UHFFFAOYSA-N |