HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 12968614Generated: October 26, 2026
(S)-N-(alpha-ethylbenzyl)-3-[2-(3-carboxypropanoyl)aminoethoxy]-2-phenylquinoline-4-carboxamide
https://huagongshe.com/en/chemical/12968614
Identifiers & Physical Properties
| Molecular formula | C31H31N3O5 |
|---|
| Average molar mass | 525.6 g/mol |
|---|
| Monoisotopic mass | 525.2263711 g/mol |
|---|
| SMILES | CC[C@H](NC(=O)c1c(OCCNC(=O)CCC(=O)O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 |
|---|
| InChIKey | JMITZLAEEUNKAI-DEOSSOPVSA-N |
|---|
| PubChem CID | 12968614 |
|---|
Chemical & Physical Properties
| XLogP | 4.3 |
|---|
| Topological polar surface area | 118 |
|---|
| Hydrogen bond donors | 3 |
|---|
| Hydrogen bond acceptors | 6 |
|---|
| Rotatable bonds | 12 |
|---|
| Heavy atoms | 39 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 795 |
|---|
![(S)-N-(alpha-ethylbenzyl)-3-[2-(3-carboxypropanoyl)aminoethoxy]-2-phenylquinoline-4-carboxamide molecular structure](/img/chemical/12968614.png)