1.0 2010-04-08 22:06:14 UTC 2025-11-18 22:56:13 UTC FDB004419 4,8-Dimethylquinoline 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. 4,8-Dimethylquinoline Dimethylquinoline Quinoline, 4,8-dimethyl- Quinoline, dimethyl- C11H11N 157.2117 157.089149357 4,8-dimethylquinoline 4,8-dimethylquinoline CC1=CC=CC2=C(C)C=CN=C12 InChI=1S/C11H11N/c1-8-6-7-12-11-9(2)4-3-5-10(8)11/h3-7H,1-2H3 DULGUAMZWACUFO-UHFFFAOYSA-N belongs to the class of organic compounds known as quinolines and derivatives. Quinolines and derivatives are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. Quinolines and derivatives Organic compounds Organoheterocyclic compounds Quinolines and derivatives Aromatic heteropolycyclic compounds Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Methylpyridines Organonitrogen compounds Organopnictogen compounds Aromatic heteropolycyclic compound Azacycle Benzenoid Heteroaromatic compound Hydrocarbon derivative Methylpyridine Organic nitrogen compound Organonitrogen compound Organopnictogen compound Pyridine Quinoline logp 2.99 ALOGPS logs -2.37 ALOGPS solubility 6.66e-01 g/l ALOGPS logp 3.16 ChemAxon pka_strongest_basic 5.33 ChemAxon iupac 4,8-dimethylquinoline ChemAxon average_mass 157.2117 ChemAxon mono_mass 157.089149357 ChemAxon smiles CC1=CC=CC2=C(C)C=CN=C12 ChemAxon formula C11H11N ChemAxon inchi InChI=1S/C11H11N/c1-8-6-7-12-11-9(2)4-3-5-10(8)11/h3-7H,1-2H3 ChemAxon inchikey DULGUAMZWACUFO-UHFFFAOYSA-N ChemAxon polar_surface_area 12.89 ChemAxon refractivity 50.06 ChemAxon polarizability 18.11 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 91554 Specdb::MsMs 91555 Specdb::MsMs 91556 Specdb::MsMs 154962 Specdb::MsMs 154963 Specdb::MsMs 154964 Specdb::MsMs 3600476 Specdb::MsMs 3600477 Specdb::MsMs 3600478 Specdb::MsMs 3600479 Specdb::MsMs 3600480 Specdb::MsMs 3600481 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442