methyl 6-[(2-cyclohexyl-3-oxo-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-9-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(2-cyclohexyl-3-oxo-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-9-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
methyl 6-[(2-cyclohexyl-3-oxo-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-9-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | G211-0241 |
| Compound Name: | methyl 6-[(2-cyclohexyl-3-oxo-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-9-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 487.51 |
| Molecular Formula: | C27 H25 N3 O6 |
| Smiles: | COC(c1cc2c(cc1NC(c1c3CN(C4CCCCC4)C(c3nc3ccccc13)=O)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7282 |
| logD: | 2.806 |
| logSw: | -4.9142 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.147 |
| InChI Key: | IHQRIQNQEZPHGZ-UHFFFAOYSA-N |