4-methoxy-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}-3-nitrobenzamide
Chemical Structure Depiction of
4-methoxy-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}-3-nitrobenzamide
4-methoxy-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | C095-0423 |
| Compound Name: | 4-methoxy-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}-3-nitrobenzamide |
| Molecular Weight: | 499.53 |
| Molecular Formula: | C26 H25 N7 O4 |
| Smiles: | Cc1cc(nc2ccc(cc12)NC(c1ccc(c(c1)[N+]([O-])=O)OC)=O)N1CCN(CC1)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 4.7878 |
| logD: | 4.7774 |
| logSw: | -4.7668 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.91 |
| InChI Key: | SGKQELJGUSXGGE-UHFFFAOYSA-N |