[2-(2,4-dimethoxyanilino)quinolin-4-yl][4-(4-nitrophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
[2-(2,4-dimethoxyanilino)quinolin-4-yl][4-(4-nitrophenyl)piperazin-1-yl]methanone
[2-(2,4-dimethoxyanilino)quinolin-4-yl][4-(4-nitrophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | C387-0330 |
| Compound Name: | [2-(2,4-dimethoxyanilino)quinolin-4-yl][4-(4-nitrophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 513.55 |
| Molecular Formula: | C28 H27 N5 O5 |
| Smiles: | COc1ccc(c(c1)OC)Nc1cc(C(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.3268 |
| logD: | 5.2711 |
| logSw: | -5.6395 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.815 |
| InChI Key: | MNYMXAWVWRNPCA-UHFFFAOYSA-N |