Methyl Quinoline Details
: IUPAC Name
2-methylquinoline
:Chemical Class
:CAS Registry Number
91-63-4
:Description
:Fragrance Type
Physical and Chemical properties
PUBCHEM ID | 7060 |
Molecular Weight (mg/mol) | 143.185 |
Molecular Formula | C10H9N |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 0 |
IUPAC Name | 2-methylquinoline |
Canonical SMILES | Cc2ccc1ccccc1n2 |
PUBCHEM IUPAC INCHIKEY | SMUQFGGVLNAIOZ-UHFFFAOYSA-N |
Solubility Level | 3 |
Vapour Pressure | -1.948 |
Absorption and Metabolism information
XLOGP3 AA | |
CACTVS TPSA | 12.9 |
BBB Level | 1 |
Absorption Level | 0 |
EXT PPB#Prediction | 1 |
AlogP98 | 2.298 |
EXT CYP2D6#Prediction | 0 |
Toxicological Information
Mouse Female FDA | Single-Carcinogen |
Mouse Male FDA | Single-Carcinogen |
Rat Female FDA | Single-Carcinogen |
Rat Male FDA | Single-Carcinogen |
Ames Prediction | Mutagen |
Developmental / Reproductive Toxicity | Non-Toxic |
Rat Oral LD50 | 1.60997 g/kg_body_weight |
Ocular Irritancy | Severe |
Hepatotoxic#Prediction | 1 |
Effected Human Genes | |
Ecological Information
Aerobic Biodegradability Prediction | Non-Degradable |
Hazard(s) Identification
Physical hazards | not classified |
Health hazards | Mild |
Environmental hazards | not classified |
About Table Headings
Compound Biological Activity
Serial No. | Cas No | Gene Symbol | Organism | Interaction |
Interaction Actions | PubMed Id |
---|
1 |
91-63-4 |
CYP1A2 |
Homo sapiens |
2-methylquinoline results in decreased activity of CYP1A2 protein |
decreases^activity |
15916432 |
Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
---|
1 | | |
|
91-63-4 |
Methyl Quinoline |
Plant Variety and Essential oils