2-[6-(1,3-Benzodioxol-5-Yl)Hexyl]-1-Methylquinolin-4-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL2270127 | |
| PubChem: | 11824628 | |
| IUPAC: | 2-[6-(1,3-benzodioxol-5-yl)hexyl]-1-methylquinolin-4-one | |
| Standard InChI: | InChI=1S/C23H25NO3/c1-24-18(15-21(25)19-10-6-7-11-20(19)24)9-5-3-2-4-8-17-12-13-22-23(14-17)27-16-26-22/h6-7,10-15H,2-5,8-9,16H2,1H3 | |
| Standard InChI Key: | NTOLOAOKRJSWIN-UHFFFAOYSA-N | |
| SMILES: | O=c1cc(CCCCCCc2ccc3c(c2)OCO3)n(c2c1cccc2)C | |
Molecular propeties
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| AlogP: | 4.61 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 4 | |
| Molecular Weight: | 363.18 | |
| Topological polar surface area: | 38.8 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.348 | |
| Number of carbons: | 23 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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