2-Chloro-3,4-dihydroquinazolin-4-one - CAS 607-69-2

Catalog:	BB030801
Product Name:	2-Chloro-3,4-dihydroquinazolin-4-one
CAS:	607-69-2
Synonyms:	2-chloro-3H-quinazolin-4-one; 2-chloro-3H-quinazolin-4-one

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-3H-quinazolin-4-one
Description:	2-Chloro-3,4-dihydroquinazolin-4-one (CAS# 607-69-2) is a useful research chemical.
Molecular Weight:	180.59
Molecular Formula:	C8H5ClN2O
Canonical SMILES:	C1=CC=C2C(=C1)C(=O)NC(=N2)Cl
InChI:	InChI=1S/C8H5ClN2O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H,(H,10,11,12)
InChI Key:	CNGRGEDXKHIFIL-UHFFFAOYSA-N
Boiling Point:	325.9 °C at 760 mmHg
Density:	1.5 g/cm³
LogP:	1.98880

Publication Number	Title	Priority Date
WO-2021191236-A1	Nucleotide analogues for the treatment of coronaviruses	20200327
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WO-2021077102-A1	Novel antiparasitic compounds and methods	20191018
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CN-108553465-A	A kind of Ketoconazol/Clobetasol Propionate topical composition for fungal infection	20180419

PMID	Publication Date	Title	Journal
22719705	20120601	2-Chloro-quinazolin-4(3H)-one	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Quinazolines

[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[21599-37-1]
2-Amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
[20198-18-9]
2-Amino-7-chloro-3H-quinazolin-4-one
[1172851-61-4]
4-Chloro-6-iodo-7-methoxyquinazoline
[67092-21-1]
2,5,6-Trichloroquinazoline
[19815-16-8]
4-Chloro-6-nitroquinazoline

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

Complexity:	239
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.0090405
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	180.0090405
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8