HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 5224713Generated: November 4, 2026
2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-N-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide
https://huagongshe.com/en/chemical/5224713
Identifiers & Physical Properties
| CAS No. | 6827-88-9 |
|---|
| Molecular formula | C27H23F3N2O5 |
|---|
| Average molar mass | 512.5 g/mol |
|---|
| Monoisotopic mass | 512.15590632 g/mol |
|---|
| SMILES | CCOc1ccc(-n2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c3cc(OC)c(OC)cc3c2=O)cc1 |
|---|
| InChIKey | LDAWTOJOJPMVPE-UHFFFAOYSA-N |
|---|
| PubChem CID | 5224713 |
|---|
| DTXSID | DTXSID80411337 |
|---|
Chemical & Physical Properties
| XLogP | 4.8 |
|---|
| Topological polar surface area | 77.1 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 8 |
|---|
| Rotatable bonds | 7 |
|---|
| Heavy atoms | 37 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 842 |
|---|
![2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-N-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide molecular structure](/img/chemical/5224713.png)