N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2,3-dimethylanilino)quinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2,3-dimethylanilino)quinoline-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2,3-dimethylanilino)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | C387-0376 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2,3-dimethylanilino)quinoline-4-carboxamide |
| Molecular Weight: | 425.49 |
| Molecular Formula: | C26 H23 N3 O3 |
| Smiles: | Cc1cccc(c1C)Nc1cc(C(NCc2ccc3c(c2)OCO3)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.1804 |
| logD: | 6.1749 |
| logSw: | -5.676 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.88 |
| InChI Key: | LKIAAWFLDNYHDJ-UHFFFAOYSA-N |