2-(2H-1,3-benzodioxol-5-yl)-N-(2-methyl-3-nitrophenyl)quinoline-4-carboxamide
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-N-(2-methyl-3-nitrophenyl)quinoline-4-carboxamide
2-(2H-1,3-benzodioxol-5-yl)-N-(2-methyl-3-nitrophenyl)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y205-2741 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-N-(2-methyl-3-nitrophenyl)quinoline-4-carboxamide |
| Molecular Weight: | 427.42 |
| Molecular Formula: | C24 H17 N3 O5 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)NC(c1cc(c2ccc3c(c2)OCO3)nc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.49 |
| logD: | 5.489 |
| logSw: | -5.6166 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.887 |
| InChI Key: | XSADKYJHZATRTD-UHFFFAOYSA-N |