N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3,5-dimethylanilino)quinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3,5-dimethylanilino)quinoline-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3,5-dimethylanilino)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | C387-1328 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3,5-dimethylanilino)quinoline-4-carboxamide |
| Molecular Weight: | 425.49 |
| Molecular Formula: | C26 H23 N3 O3 |
| Smiles: | Cc1cc(C)cc(c1)Nc1cc(C(NCc2ccc3c(c2)OCO3)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.9695 |
| logD: | 5.957 |
| logSw: | -5.6756 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.577 |
| InChI Key: | JIAKMJVOHJALIK-UHFFFAOYSA-N |