1-Methyl-2-nonylquinolin-4(1H)-one
PubChem CID: 13967189
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| Compound Synonyms | 1-Methyl-2-nonylquinolin-4(1H)-one, 68353-24-2, 1-METHYL-2-NONYLQUINOLIN-4-ONE, 1-Methyl-2-nonyl-4-quinolinone, 1-methyl-2-nonyl-4(1h)-quinolinone, 1-Methyl-2-nonyl-4(1H)-quinolone, 1-Methyl-2-nonyl-4(1H)-quinolinone, 1-Methyl-2-n-nonyl-4(1H) quinolone, 1-Methyl-2-nonyl-4(1H)-quinolone, 4(1H)-Quinolinone, 1-methyl-2-nonyl-, DT3ECS6LN5, DTXSID90553439, CHEBI:174025, 1-Methyl-2-nonyl-quinolin-4-one, TCA35324, AKOS025288422, FS-8763, DA-31699, 1-methyl-2-nonyl-1,4-dihydroquinolin-4-one, E88695, NCGC00385599-01!1-methyl-2-nonylquinolin-4-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC2CCCCC12 |
| Np Classifier Class | Quinoline alkaloids |
| Deep Smiles | CCCCCCCCCccc=O)ccn6C))cccc6 |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | OC1CCNC2CCCCC12 |
| Classyfire Subclass | Quinolones and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 361.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-2-nonylquinolin-4-one |
| Class | Quinolines and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 6.1 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Quinolones and derivatives |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H27NO |
| Scaffold Graph Node Bond Level | O=c1cc[nH]c2ccccc12 |
| Inchi Key | XIGBBPQAXHSVSN-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 8.0 |
| State | Solid |
| Synonyms | 1-methyl-2-n-nonyl-4-quinolone |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cn(c)C |
| Compound Name | 1-Methyl-2-nonylquinolin-4(1H)-one |
| Kingdom | Organic compounds |
| Exact Mass | 285.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 285.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 285.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C19H27NO/c1-3-4-5-6-7-8-9-12-16-15-19(21)17-13-10-11-14-18(17)20(16)2/h10-11,13-15H,3-9,12H2,1-2H3 |
| Smiles | CCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Hydroquinolones |
| Np Classifier Superclass | Tryptophan alkaloids, Anthranilic acid alkaloids |
- 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:Reference:https://doi.org/10.15482/usda.adc/1239279