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1-Acetyl-1,2,3,4-tetrahydroquinoline-6-carbonitrile

1-Acetyl-1,2,3,4-tetrahydroquinoline-6-carbonitrile - CAS 851202-94-3

Catalog:	BB037497
Product Name:	1-Acetyl-1,2,3,4-tetrahydroquinoline-6-carbonitrile
CAS:	851202-94-3
Synonyms:	1-acetyl-3,4-dihydro-2H-quinoline-6-carbonitrile; 1-acetyl-3,4-dihydro-2H-quinoline-6-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	1-acetyl-3,4-dihydro-2H-quinoline-6-carbonitrile
Description:	1-Acetyl-1,2,3,4-tetrahydroquinoline-6-carbonitrile (CAS# 851202-94-3) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	200.24
Molecular Formula:	C12H12N2O
Canonical SMILES:	CC(=O)N1CCCC2=C1C=CC(=C2)C#N
InChI:	InChI=1S/C12H12N2O/c1-9(15)14-6-2-3-11-7-10(8-13)4-5-12(11)14/h4-5,7H,2-3,6H2,1H3
InChI Key:	OUSBYSBWTAUELS-UHFFFAOYSA-N
LogP:	1.92238

Publication Number	Title	Priority Date
WO-2015040424-A1	Tetrahydroisoquinoline compounds and their use as pyruvate dehydrogenase kinase inhibitors	20130923
US-8952049-B2	Modulators of ATP-binding cassette transporters	20060407
AU-2004283019-A1	N-thiazol-2-yl-benzamide derivatives	20031027
CA-2542816-A1	N-thiazol-2-yl-benzamide derivatives	20031027
DE-602004004925-T2	N-thiazol-2-YL-BENZAMIDE DERIVATIVES	20031027

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole

Complexity:	304
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.094963011
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	200.094963011
Rotatable Bond Count:	0
Topological Polar Surface Area:	44.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4