4-[(2H-1,3-benzodioxol-5-yl)amino]-6-methoxyquinoline-3-carbonitrile
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)amino]-6-methoxyquinoline-3-carbonitrile
4-[(2H-1,3-benzodioxol-5-yl)amino]-6-methoxyquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | F360-1038 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)amino]-6-methoxyquinoline-3-carbonitrile |
| Molecular Weight: | 355.78 |
| Molecular Formula: | C18 H13 N3 O3 |
| Salt: | HCl |
| Smiles: | COc1ccc2c(c1)c(c(C#N)cn2)Nc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.3247 |
| logD: | 3.3232 |
| logSw: | -3.5803 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.323 |
| InChI Key: | DHUKZBFBGLPDEQ-UHFFFAOYSA-N |