methyl 4-[(2H-1,3-benzodioxol-5-yl)amino]-6-chloroquinoline-2-carboxylate
Chemical Structure Depiction of
methyl 4-[(2H-1,3-benzodioxol-5-yl)amino]-6-chloroquinoline-2-carboxylate
methyl 4-[(2H-1,3-benzodioxol-5-yl)amino]-6-chloroquinoline-2-carboxylate
Compound characteristics
| Compound ID: | L480-0229 |
| Compound Name: | methyl 4-[(2H-1,3-benzodioxol-5-yl)amino]-6-chloroquinoline-2-carboxylate |
| Molecular Weight: | 356.76 |
| Molecular Formula: | C18 H13 Cl N2 O4 |
| Smiles: | COC(c1cc(c2cc(ccc2n1)[Cl])Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8554 |
| logD: | 4.8553 |
| logSw: | -4.7872 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.073 |
| InChI Key: | IZUINYWLABDMIJ-UHFFFAOYSA-N |