3-(2,3-dimethoxyphenyl)-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}prop-2-enamide
Chemical Structure Depiction of
3-(2,3-dimethoxyphenyl)-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}prop-2-enamide
3-(2,3-dimethoxyphenyl)-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}prop-2-enamide
Compound characteristics
| Compound ID: | C095-0484 |
| Compound Name: | 3-(2,3-dimethoxyphenyl)-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}prop-2-enamide |
| Molecular Weight: | 510.6 |
| Molecular Formula: | C29 H30 N6 O3 |
| Smiles: | Cc1cc(nc2ccc(cc12)NC(/C=C/c1cccc(c1OC)OC)=O)N1CCN(CC1)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 5.7179 |
| logD: | 5.7167 |
| logSw: | -5.5517 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.333 |
| InChI Key: | YVUCIOUBAJZJAO-UHFFFAOYSA-N |