4-Bromo-2-methylisoquinolin-1(2H)-one - CAS 33930-63-1

Catalog:	BB021899
Product Name:	4-Bromo-2-methylisoquinolin-1(2H)-one
CAS:	33930-63-1
Synonyms:	4-bromo-2-methyl-1-isoquinolinone; 4-bromo-2-methylisoquinolin-1-one

Technical Data

Patents

Computed Properties

IUPAC Name:	4-bromo-2-methylisoquinolin-1-one
Description:	4-Bromo-2-methylisoquinolin-1(2H)-one (CAS# 33930-63-1) is a useful research chemical.
Molecular Weight:	238.08
Molecular Formula:	C10H8BrNO
Canonical SMILES:	CN1C=C(C2=CC=CC=C2C1=O)Br
InChI:	InChI=1S/C10H8BrNO/c1-12-6-9(11)7-4-2-3-5-8(7)10(12)13/h2-6H,1H3
InChI Key:	YCYRWLPOFCNZPY-UHFFFAOYSA-N
Boiling Point:	345.8 °C at 760 mmHg
Density:	1.592 g/cm³
MDL:	MFCD00489133
LogP:	2.30100

Publication Number	Title	Priority Date
WO-2021178920-A1	Compounds for targeted degradation of brd9	20200305
WO-2020123674-A1	Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same	20181212
TW-202035359-A	Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same	20181212
EP-3893645-A1	Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same	20181212
KR-20210102942-A	Substituted arylmethylureas and heteroarylmethylureas, analogs thereof, and methods of use thereof	20181212

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Related Functional Groups

Quinoline/Isoquinoline

[892874-65-6]
2,7-Dimethylquinoline-3-carboxylic acid ethyl ester
[1535306-28-5]
6-Fluoro-8-iodoquinolin-2(1H)-one
[1203578-65-7]
7-Bromo-2-phenylquinoline
[4038-97-5]
7-Methoxy-4-(piperazin-1-yl)quinoline
[142425-92-1]
ethyl 4-aminoquinoline-2-carboxylate
[79660-46-1]
Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate

Complexity:	262
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.97893
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	236.97893
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9