3-Quinolinecarbonitrile - CAS 34846-64-5

Catalog:	BB022326
Product Name:	3-Quinolinecarbonitrile
CAS:	34846-64-5
Synonyms:	quinoline-3-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	quinoline-3-carbonitrile
Description:	3-Quinolinecarbonitrile (CAS# 34846-64-5) is a useful research chemical.
Molecular Weight:	154.17
Molecular Formula:	C10H6N2
Canonical SMILES:	C1=CC=C2C(=C1)C=C(C=N2)C#N
InChI:	InChI=1S/C10H6N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H
InChI Key:	QZZYYBQGTSGDPP-UHFFFAOYSA-N
Boiling Point:	323.7 °C at 760 mmHg
Density:	1.21 g/cm³
Appearance:	White to light yellow crystal powder
MDL:	MFCD00006766
LogP:	2.10648

Publication Number	Title	Priority Date
CN-113336702-A	Preparation method of 2-amino fused pyridine compound	20210601
CN-111704558-A	Method for preparing phenyl-2- (2' -cyanophenyl) acetylene compounds by palladium catalysis	20200622
EP-3896114-A1	Novel compound, polyimide resin and method of producing the same, photosensitive resin composition, patterning method and method of forming cured film, interlayer insulating film, surface protective film, and electronic component	20200414
EP-3896521-A1	Polymer, photosensitive resin composition, patterning method, method of forming cured film, interlayer insulating film, surface protective film, and electronic component	20200414
US-2021317268-A1	Polymer, photosensitive resin composition, patterning method, method of forming cured film, interlayer insulating film, surface protective film, and electronic component	20200414

PMID	Publication Date	Title	Journal
21851209	20120801	Pharmacophore generation and atom-based 3D-QSAR of novel quinoline-3-carbonitrile derivatives as Tpl2 kinase inhibitors	Journal of enzyme inhibition and medicinal chemistry
20797871	20100915	Development of a new epidermal growth factor receptor positron emission tomography imaging agent based on the 3-cyanoquinoline core: synthesis and biological evaluation	Bioorganic & medicinal chemistry
20363128	20100501	Optimization of 7-alkene-3-quinolinecarbonitriles as Src kinase inhibitors	Bioorganic & medicinal chemistry letters
19632113	20090901	4-Anilino-7-pyridyl-3-quinolinecarbonitriles as Src kinase inhibitors	Bioorganic & medicinal chemistry letters
20055156	20090801	[Synthesis and biological evaluation of 3-quinolinecarbonitrile-7-amide derivatives]	Yao xue xue bao = Acta pharmaceutica Sinica

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Related Functional Groups

Quinoline/Isoquinoline

[30740-95-5]
6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydrochloride
[892874-65-6]
2,7-Dimethylquinoline-3-carboxylic acid ethyl ester
[1535306-28-5]
6-Fluoro-8-iodoquinolin-2(1H)-one
[891782-60-8]
7-Bromo-3,4-dihydro-2H-isoquinolin-1-one
[312713-96-5]
7-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
[1245816-24-3]
8-(Tributylstannyl)isoquinoline

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	203
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.053098200
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	154.053098200
Rotatable Bond Count:	0
Topological Polar Surface Area:	36.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6