N-(3-nitrophenyl)-2-{2-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-nitrophenyl)-2-{2-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide
N-(3-nitrophenyl)-2-{2-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y501-5346 |
| Compound Name: | N-(3-nitrophenyl)-2-{2-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C25 H21 N3 O4 |
| Smiles: | CC(C)Oc1ccccc1c1cc(C(Nc2cccc(c2)[N+]([O-])=O)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.9397 |
| logD: | 5.9392 |
| logSw: | -5.7875 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.66 |
| InChI Key: | QGQXZJJQNSNVJL-UHFFFAOYSA-N |