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4-Chloro-2-oxo-1,2-dihydroquinoline-3-carbonitrile

4-Chloro-2-oxo-1,2-dihydroquinoline-3-carbonitrile - CAS 680210-85-9

Catalog:	BB033462
Product Name:	4-Chloro-2-oxo-1,2-dihydroquinoline-3-carbonitrile
CAS:	680210-85-9
Synonyms:	4-chloro-2-oxo-1H-quinoline-3-carbonitrile; 4-chloro-2-oxo-1H-quinoline-3-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-chloro-2-oxo-1H-quinoline-3-carbonitrile
Description:	4-Chloro-2-oxo-1,2-dihydroquinoline-3-carbonitrile (CAS# 680210-85-9 ) is a useful research chemical.
Molecular Weight:	204.61
Molecular Formula:	C10H5ClN2O
Canonical SMILES:	C1=CC=C2C(=C1)C(=C(C(=O)N2)C#N)Cl
InChI:	InChI=1S/C10H5ClN2O/c11-9-6-3-1-2-4-8(6)13-10(14)7(9)5-12/h1-4H,(H,13,14)
InChI Key:	JWBMUCZTOBYSEM-UHFFFAOYSA-N
LogP:	2.46548

Publication Number	Title	Priority Date
US-2018086751-A1	Sweetener composition	20171201
US-10370336-B2	Phenyl-cyanoquinolinone PDE9 inhibitors	20150729
US-10370337-B2	Oxy-cyanoquinolinone PDE9 inhibitors	20150729
US-10376504-B2	Substituted quinolinones as PDE9 inhibitors	20150729
US-2018208557-A1	Phenyl-cyanoquinolinone pde9 inhibitors	20150729

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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
[1427004-19-0]
DBCO-PEG4-NHS ester
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	352
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.0090405
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	204.0090405
Rotatable Bond Count:	0
Topological Polar Surface Area:	52.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6