2-Nonylquinolin-4(1h)-One
PubChem CID: 9856730
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| Compound Synonyms | 2-Nonylquinolin-4(1h)-One, 55396-45-7, 2503-81-3, 4-Quinolinol, 2-nonyl-, 2-nonyl-1H-quinolin-4-one, 2-NONYLQUINOLIN-4-OL, Pseudane IX, 2-nonyl-4-hydroxyquinoline, MFCD28096829, 2-nonyl-4(1h)-quinolone, SCHEMBL2126335, CHEMBL2270128, SCHEMBL21065454, DTXSID30431883, CAA50381, AKOS027255815, HY-W555382, SB70222, AS-54937, DA-69816, PD133700, 2-Nonylquinolin-4(1H)-One(WXC01678), CS-0667372, W11285, EN300-7415282, Q27463885, Z3247535644, NNQ |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 334.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-nonyl-1H-quinolin-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.0 |
| Molecular Formula | C18H25NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | KKRXDNYRUZGPFM-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -3.886 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.151 |
| Compound Name | 2-Nonylquinolin-4(1h)-One |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 271.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 271.194 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 271.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.9637047999999995 |
| 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) |
| Smiles | CCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Evodia Rutaecarpa (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ruta Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all