6-Chloro-3,4-dihydroisoquinolin-1(2H)-one - CAS 22246-02-2

Catalog:	BB017470
Product Name:	6-Chloro-3,4-dihydroisoquinolin-1(2H)-one
CAS:	22246-02-2
Synonyms:	6-chloro-3,4-dihydro-2H-isoquinolin-1-one; 6-chloro-3,4-dihydro-2H-isoquinolin-1-one

Technical Data

Patents

Computed Properties

IUPAC Name:	6-chloro-3,4-dihydro-2H-isoquinolin-1-one
Description:	6-Chloro-3,4-dihydroisoquinolin-1(2H)-one (CAS# 22246-02-2) is a useful research chemical.
Molecular Weight:	181.62
Molecular Formula:	C9H8ClNO
Canonical SMILES:	C1CNC(=O)C2=C1C=C(C=C2)Cl
InChI:	InChI=1S/C9H8ClNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-2,5H,3-4H2,(H,11,12)
InChI Key:	RQKCSUSXBKSENU-UHFFFAOYSA-N
Boiling Point:	441.2 °C at 760 mmHg
Density:	1.29 g/cm³
Appearance:	Solid
LogP:	1.95470

Publication Number	Title	Priority Date
US-2021078974-A1	Triazacyclododecansulfonamide ("tcd")-based protein secretion inhibitors	20180316
WO-2016196393-A2	Autophagy-inhibiting compounds and uses thereof	20150529
EP-3204383-A1	Spirodiamine derivatives as aldosterone synthase inhibitors	20141008
US-10035804-B2	Spirodiamine derivatives as aldosterone synthase inhibitors	20141008
US-2017204107-A1	Spirodiamine derivatives as aldosterone synthase inhibitors	20141008

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Related Functional Groups

Quinoline/Isoquinoline

[948291-36-9]
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[30740-95-5]
6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydrochloride
[892874-65-6]
2,7-Dimethylquinoline-3-carboxylic acid ethyl ester
[36034-54-5]
4-Methoxyisoquinoline
[4965-34-8]
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[1203578-65-7]
7-Bromo-2-phenylquinoline

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Complexity:	195
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.0294416
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	181.0294416
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9