6-Ethynyl-3,4-dihydroquinolin-2(1H)-one - CAS 120067-46-1

Catalog:	BB004703
Product Name:	6-Ethynyl-3,4-dihydroquinolin-2(1H)-one
CAS:	120067-46-1
Synonyms:	6-ethynyl-3,4-dihydro-1H-quinolin-2-one; 6-ethynyl-3,4-dihydro-1H-quinolin-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	6-ethynyl-3,4-dihydro-1H-quinolin-2-one
Description:	6-Ethynyl-3,4-dihydroquinolin-2(1H)-one (CAS# 120067-46-1 ) is a useful research chemical.
Molecular Weight:	171.20
Molecular Formula:	C11H9NO
Canonical SMILES:	C#CC1=CC2=C(C=C1)NC(=O)CC2
InChI:	InChI=1S/C11H9NO/c1-2-8-3-5-10-9(7-8)4-6-11(13)12-10/h1,3,5,7H,4,6H2,(H,12,13)
InChI Key:	XYZLICSXYULWBN-UHFFFAOYSA-N
LogP:	1.69060

Publication Number	Title	Priority Date
WO-2020121261-A1	3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same	20181214
WO-2020121263-A1	Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same	20181214
US-2020223827-A1	3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same	20181214
US-2020223844-A1	Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same	20181214
TW-202039447-A	3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same	20181214

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Complexity:	263
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.068413911
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	171.068413911
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3