HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl 2,4-dimethylquinoline-3-carboxylate
2,4-diMethylquinoline-3-carboxylic acid ethyl ester · 3-Quinolinecarboxylic acid, 2,4-dimethyl-, ethyl ester
Identifiers & Physical Properties
| CAS No. | 104785-54-8 |
|---|---|
| Molecular formula | C14H15NO2 |
| Average molar mass | 229.27 g/mol |
| Monoisotopic mass | 229.11027872 g/mol |
| SMILES | CCOC(=O)c1c(C)nc2ccccc2c1C |
| InChIKey | ASEYONPNBCGPAZ-UHFFFAOYSA-N |
| PubChem CID | 2501158 |
| ChEMBL | CHEMBL1740332 |
| DTXSID | DTXSID20368836 |
Chemical & Physical Properties
| XLogP | 3.2 |
|---|---|
| Topological polar surface area | 39.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 279 |
| Storage conditions | 2-8°C |