6-bromo-8-fluoro-1,2-dihydroquinazolin-2-one - CAS 1036756-15-6

Catalog:	BB001194
Product Name:	6-bromo-8-fluoro-1,2-dihydroquinazolin-2-one
CAS:	1036756-15-6
Synonyms:	6-bromo-8-fluoro-1H-quinazolin-2-one; 6-bromo-8-fluoro-1H-quinazolin-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	6-bromo-8-fluoro-1H-quinazolin-2-one
Description:	6-bromo-8-fluoro-1,2-dihydroquinazolin-2-one (CAS# 1036756-15-6 ) is a useful research chemical.
Molecular Weight:	243.035
Molecular Formula:	C8H4BrFN2O
Canonical SMILES:	C1=C(C=C2C=NC(=O)NC2=C1F)Br
InChI:	InChI=1S/C8H4BrFN2O/c9-5-1-4-3-11-8(13)12-7(4)6(10)2-5/h1-3H,(H,11,12,13)
InChI Key:	OTRNZYHGHUEGKS-UHFFFAOYSA-N
LogP:	2.23700

Publication Number	Title	Priority Date
WO-2020232401-A1	Combination therapies with ire1 small molecule inhibitors	20190515
WO-2020232403-A1	Treatment of fibrosis with ire1 small molecule inhibitors	20190515
CA-3082363-A1	Ire1 small molecule inhibitors	20171110
US-2019169160-A1	Ire1 small molecule inhibitors	20171110
WO-2019094641-A1	Ire1 small molecule inhibitors	20171110

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Complexity:	259
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.9491
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	241.9491
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5