4-Hydroxyquinazoline-6-carbonitrile - CAS 117297-41-3

Catalog:	BB003920
Product Name:	4-Hydroxyquinazoline-6-carbonitrile
CAS:	117297-41-3
Synonyms:	4-oxo-3H-quinazoline-6-carbonitrile; 4-oxo-3H-quinazoline-6-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-oxo-3H-quinazoline-6-carbonitrile
Description:	4-Hydroxyquinazoline-6-carbonitrile (CAS# 117297-41-3) is a useful research chemical.
Molecular Weight:	171.16
Molecular Formula:	C9H5N3O
Canonical SMILES:	C1=CC2=C(C=C1C#N)C(=O)NC=N2
InChI:	InChI=1S/C9H5N3O/c10-4-6-1-2-8-7(3-6)9(13)12-5-11-8/h1-3,5H,(H,11,12,13)
InChI Key:	VXISBCZDQLPLJO-UHFFFAOYSA-N
LogP:	1.20708

Publication Number	Title	Priority Date
US-2019151295-A1	Compounds and methods for the targeted degradation of interleukin-1 receptor-associated kinase 4 polypeptides	20171117
WO-2019099926-A1	Compounds and methods for the targeted degradation of interleukin-1 receptor-associated kinase 4 polypeptides	20171117
EP-3710443-A1	Compounds and methods for the targeted degradation of interleukin-1 receptor-associated kinase 4 polypeptides	20171117
US-11065231-B2	Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides	20171117
CA-2945819-A1	Irak inhibitors and uses thereof	20140422

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Related Functional Groups

Nitrogen Compounds

[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	301
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.043261791
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	171.043261791
Rotatable Bond Count:	0
Topological Polar Surface Area:	65.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4