Quinoline Details

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Physical and Chemical properties

PUBCHEM ID	7047
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	129.159
Molecular Formula	C9H7N
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
IUPAC Name	quinoline
Canonical SMILES	c2ccc1ncccc1c2
PUBCHEM IUPAC INCHIKEY	SMWDFEZZVXVKRB-UHFFFAOYSA-N
Solubility Level	3
Vapour Pressure	-1.419

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA	12.9
BBB Level	1
Absorption Level	0
EXT PPB#Prediction	0
AlogP98	2.016
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Single-Carcinogen
Mouse Male FDA	Single-Carcinogen
Rat Female FDA	Non-Carcinogen
Rat Male FDA	Single-Carcinogen
Ames Prediction	Mutagen
Developmental / Reproductive Toxicity	Non-Toxic
Rat Oral LD50	0.49738 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.	Activity Name	Details	References (PubMed)	Other details EPA (U.S)	Clinical Trials (U.S. NIH)
1				91-22-5	Quinoline

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Vetiver, Khus	Kesari	Vetiveria zizanoides Kesari essential oil
2	Vetiver, Khus	CIMAP-Khus 15	Vetiveria zizanoides CIMAP-KHUS 15