ethyl 6-ethoxy-4-(2-methoxy-5-nitroanilino)quinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 6-ethoxy-4-(2-methoxy-5-nitroanilino)quinoline-3-carboxylate
ethyl 6-ethoxy-4-(2-methoxy-5-nitroanilino)quinoline-3-carboxylate
Compound characteristics
| Compound ID: | C053-0645 |
| Compound Name: | ethyl 6-ethoxy-4-(2-methoxy-5-nitroanilino)quinoline-3-carboxylate |
| Molecular Weight: | 411.41 |
| Molecular Formula: | C21 H21 N3 O6 |
| Smiles: | CCOC(c1cnc2ccc(cc2c1Nc1cc(ccc1OC)[N+]([O-])=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7002 |
| logD: | 4.6993 |
| logSw: | -4.4847 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.799 |
| InChI Key: | OFFKDXDIZABYBI-UHFFFAOYSA-N |