N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | C387-0138 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C25 H21 N3 O4 |
| Smiles: | COc1ccc(cc1)Nc1cc(C(NCc2ccc3c(c2)OCO3)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.2589 |
| logD: | 5.2585 |
| logSw: | -5.3355 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.121 |
| InChI Key: | JOGICIXEFCIWFB-UHFFFAOYSA-N |