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6-Bromo-4,4-dimethyl-3,4-dihydroisoquinolin-1(2H)-one

6-Bromo-4,4-dimethyl-3,4-dihydroisoquinolin-1(2H)-one - CAS 1396777-58-4

Catalog:	BB008976
Product Name:	6-Bromo-4,4-dimethyl-3,4-dihydroisoquinolin-1(2H)-one
CAS:	1396777-58-4
Synonyms:	6-bromo-4,4-dimethyl-2,3-dihydroisoquinolin-1-one; 6-bromo-4,4-dimethyl-2,3-dihydroisoquinolin-1-one

Technical Data

Patents

Computed Properties

IUPAC Name:	6-bromo-4,4-dimethyl-2,3-dihydroisoquinolin-1-one
Description:	6-Bromo-4,4-dimethyl-3,4-dihydroisoquinolin-1(2H)-one (CAS# 1396777-58-4 ) is a useful research chemical.
Molecular Weight:	254.12
Molecular Formula:	C11H12BrNO
Canonical SMILES:	CC1(CNC(=O)C2=C1C=C(C=C2)Br)C
InChI:	InChI=1S/C11H12BrNO/c1-11(2)6-13-10(14)8-4-3-7(12)5-9(8)11/h3-5H,6H2,1-2H3,(H,13,14)
InChI Key:	GZDRZVDTUXFZEY-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2021088992-A1	Tetrahydroisoquinoline spiro compound as prmt5 inhibitor	20191107
WO-2021080359-A1	Bicyclic compound and use thereof	20191023
EP-3706747-A1	Prmt5 inhibitors	20171108
US-2020354377-A1	Prmt5 inhibitors	20171108
US-11098059-B2	PRMT5 inhibitors	20171108

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Related Functional Groups

Quinoline/Isoquinoline

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2-Amino-6-methoxy-3-methylquinoline
[938459-19-9]
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[361982-79-8]
2-Chloro-4-methyl-7,8-dihydro-6H-cyclopenta[g]quinoline
[36034-54-5]
4-Methoxyisoquinoline
[891782-60-8]
7-Bromo-3,4-dihydro-2H-isoquinolin-1-one
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7-Isoquinolinol

Complexity:	252
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.01023
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	253.01023
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8