5-Chloro-3H-quinazolin-4-one - CAS 60233-66-1

Catalog:	BB030626
Product Name:	5-Chloro-3H-quinazolin-4-one
CAS:	60233-66-1
Synonyms:	5-chloro-3H-quinazolin-4-one; 5-chloro-3H-quinazolin-4-one

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	5-chloro-3H-quinazolin-4-one
Description:	5-Chloro-3H-quinazolin-4-one (CAS# 60233-66-1 ) is a useful research chemical.
Molecular Weight:	180.59
Molecular Formula:	C8H5ClN2O
Canonical SMILES:	C1=CC2=C(C(=C1)Cl)C(=O)NC=N2
InChI:	InChI=1S/C8H5ClN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4H,(H,10,11,12)
InChI Key:	ZDPCOXNOQQRKCN-UHFFFAOYSA-N
Boiling Point:	353.6 °C at 760 mmHg
Density:	1.5 g/cm³
MDL:	MFCD01569827
LogP:	1.57650

Publication Number	Title	Priority Date
WO-2021209039-A1	Quinazoline compound, preparation method therefor and application thereof	20200417
CN-111116552-A	Quinazolinone compound and preparation method thereof	20200117
CN-110627731-A	4-aminoquinazoline-linked acrylamide compound and preparation method and application thereof	20191009
CN-109721554-A	A kind of 4- amino-quinazoline compound and its preparation method and application	20190108
WO-2016204429-A1	Heteroaryl derivative or pharmaceutically acceptable salt thereof, preparation method therefor, and pharmaceutical composition for preventing or treating diseases associated with pi3 kinases, containing same as active ingredient	20150618

PMID	Publication Date	Title	Journal
22365563	20120401	Synthesis and SAR optimization of quinazolin-4(3H)-ones as poly(ADP-ribose)polymerase-1 inhibitors	European journal of medicinal chemistry

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Related Functional Groups

Quinazolines

[20028-72-2]
2-Amino-6-fluoroquinazoline
[959236-83-0]
8-(Trifluoromethoxy)quinazoline-2,4(1H,3H)-dione
[119-24-4]
Folic Acid EP Impurity D (Methotrexate EP Impurity D)
[21599-37-1]
2-Amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
[1172851-61-4]
4-Chloro-6-iodo-7-methoxyquinazoline
[181871-83-0]
2-Amino-5-bromoquinazoline

Complexity:	229
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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3