methyl 2-[(2-cyclohexyl-3-oxo-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-9-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(2-cyclohexyl-3-oxo-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-9-carbonyl)amino]benzoate
methyl 2-[(2-cyclohexyl-3-oxo-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-9-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | G211-0046 |
| Compound Name: | methyl 2-[(2-cyclohexyl-3-oxo-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-9-carbonyl)amino]benzoate |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C26 H25 N3 O4 |
| Smiles: | COC(c1ccccc1NC(c1c2CN(C3CCCCC3)C(c2nc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7402 |
| logD: | 4.0315 |
| logSw: | -4.9342 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.031 |
| InChI Key: | DHPYGMMXVDCZFW-UHFFFAOYSA-N |