2-N-Nonyl-4-Quinolone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2270128 | |
| PubChem: | 9856730 | |
| IUPAC: | 2-nonyl-1H-quinolin-4-one | |
| Standard InChI: | InChI=1S/C18H25NO/c1-2-3-4-5-6-7-8-11-15-14-18(20)16-12-9-10-13-17(16)19-15/h9-10,12-14H,2-8,11H2,1H3,(H,19,20) | |
| Standard InChI Key: | KKRXDNYRUZGPFM-UHFFFAOYSA-N | |
| SMILES: | CCCCCCCCCc1cc(=O)c2c([nH]1)cccc2 | |
Molecular propeties
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| AlogP: | 4.82 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 2 | |
| Molecular Weight: | 271.19 | |
| Topological polar surface area: | 29.1 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 18 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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