4,8-Dimethylquinoline
PubChem CID: 34222
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| Compound Synonyms | 4,8-Dimethylquinoline, 13362-80-6, Quinoline, 4,8-dimethyl-, Quinoline, dimethyl-, 90Z5HA71DP, 28351-04-4, UNII-90Z5HA71DP, 4,8-dimethyl-quinoline, 4,8-Dimethylquinoline #, SCHEMBL2607397, DTXSID60928211, AKOS006370715, SB68007, Q27271353 |
|---|---|
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Description | 4,8-dimethylquinoline belongs to quinolines and derivatives class of compounds. Those are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. 4,8-dimethylquinoline is practically insoluble (in water) and a very strong basic compound (based on its pKa). 4,8-dimethylquinoline can be found in tea, which makes 4,8-dimethylquinoline a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 155.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,8-dimethylquinoline |
| Nih Violation | False |
| Class | Quinolines and derivatives |
| Xlogp | 2.9 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Molecular Formula | C11H11N |
| Inchi Key | DULGUAMZWACUFO-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | 4,8-Dimethylquinoline, Dimethylquinoline, Quinoline, 4,8-dimethyl-, Quinoline, dimethyl- |
| Compound Name | 4,8-Dimethylquinoline |
| Kingdom | Organic compounds |
| Exact Mass | 157.089 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 157.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 157.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C11H11N/c1-8-6-7-12-11-9(2)4-3-5-10(8)11/h3-7H,1-2H3 |
| Smiles | CC1=C2C(=CC=C1)C(=CC=N2)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Quinolines and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all