methyl 6-{[2-(pyridin-3-yl)quinoline-4-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
methyl 6-{[2-(pyridin-3-yl)quinoline-4-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate
methyl 6-{[2-(pyridin-3-yl)quinoline-4-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | G547-0669 |
| Compound Name: | methyl 6-{[2-(pyridin-3-yl)quinoline-4-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 427.42 |
| Molecular Formula: | C24 H17 N3 O5 |
| Smiles: | COC(c1cc2c(cc1NC(c1cc(c3cccnc3)nc3ccccc13)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9873 |
| logD: | 3.8107 |
| logSw: | -4.1064 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.498 |
| InChI Key: | MDTPPAMGXPYVLP-UHFFFAOYSA-N |