2-Chloro-4-methylquinoline-3-carbonitrile - CAS 101617-94-1

Catalog:	BB000569
Product Name:	2-Chloro-4-methylquinoline-3-carbonitrile
CAS:	101617-94-1
Synonyms:	2-chloro-4-methyl-3-quinolinecarbonitrile; 2-chloro-4-methylquinoline-3-carbonitrile

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Computed Properties

IUPAC Name:	2-chloro-4-methylquinoline-3-carbonitrile
Description:	2-Chloro-4-methylquinoline-3-carbonitrile (CAS# 101617-94-1) is a useful research chemical.
Molecular Weight:	202.64
Molecular Formula:	C11H7ClN2
Canonical SMILES:	CC1=C(C(=NC2=CC=CC=C12)Cl)C#N
InChI:	InChI=1S/C11H7ClN2/c1-7-8-4-2-3-5-10(8)14-11(12)9(7)6-13/h2-5H,1H3
InChI Key:	UTBTZPFJZNOSLP-UHFFFAOYSA-N
Boiling Point:	380.7 °C at 760 mmHg
Density:	1.31 g/cm³
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD00833327
LogP:	3.06828

Publication Number	Title	Priority Date
WO-2020160134-A1	Acetamido derivatives as dna polymerase theta inhibitors	20190130
EP-3548486-A1	Materials for organic electroluminescent devices	20161205
KR-20190089059-A	Materials for organic electroluminescent devices	20161205
US-2020199138-A1	Materials for organic electroluminescent devices	20161205
WO-2018104194-A1	Materials for organic electroluminescent devices	20161205

PMID	Publication Date	Title	Journal
18275038	20080401	Selenium-containing heterocycles: synthesis and pharmacological activities of some new 4-methylquinoline-2(1H) selenone derivatives	Archiv der Pharmazie

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1-(Chloromethyl)-3-nitro-1H-pyrazole
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1-Cyclopentyl-1H-pyrazole
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Complexity:	257
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.0297759
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	202.0297759
Rotatable Bond Count:	0
Topological Polar Surface Area:	36.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2