AromaDb: A Database of Plant's Aroma Molecules

Methyl Quinoline Details

: IUPAC Name
2-methylquinoline
:Chemical Class
:CAS Registry Number
91-63-4
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID7060
Molecular Weight (mg/mol)143.185
Molecular FormulaC10H9N
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
IUPAC Name2-methylquinoline
Canonical SMILESCc2ccc1ccccc1n2
PUBCHEM IUPAC INCHIKEYSMUQFGGVLNAIOZ-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-1.948

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA12.9
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.298
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDASingle-Carcinogen
Mouse Male FDASingle-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionMutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD501.60997 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction1
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 91-63-4 CYP1A2 Homo sapiens 2-methylquinoline results in decreased activity of CYP1A2 protein decreases^activity 15916432
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 91-63-4 Methyl Quinoline

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Vetiver, Khus Kesari Vetiveria zizanoides Kesari essential oil
2 Vetiver, Khus KS-1 Vetiveria zizanoides KS-1essential oil

Compound Image


2D Structure

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(External database - ChemAxon)