1-Acetylisoquinoline - CAS 58022-21-2

Catalog:	BB029904
Product Name:	1-Acetylisoquinoline
CAS:	58022-21-2
Synonyms:	1-(1-isoquinolinyl)ethanone; 1-isoquinolin-1-ylethanone

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	1-isoquinolin-1-ylethanone
Description:	1-Acetylisoquinoline (CAS# 58022-21-2) is a useful research chemical.
Molecular Weight:	171.20
Molecular Formula:	C11H9NO
Canonical SMILES:	CC(=O)C1=NC=CC2=CC=CC=C21
InChI:	InChI=1S/C11H9NO/c1-8(13)11-10-5-3-2-4-9(10)6-7-12-11/h2-7H,1H3
InChI Key:	UBOQZJCKVLWPLH-UHFFFAOYSA-N
Boiling Point:	314.568 °C at 760 mmHg
Density:	1.154 g/cm³
LogP:	2.43740

Publication Number	Title	Priority Date
BR-112019012355-A2	pyrazole derivatives as malt1 inhibitors	20161221
KR-20160108281-A	Compounds with cardiac myosin activating function and pharmaceutical composition containing the same for treating or preventing heart failure	20160906
US-2017298100-A1	Anti-viral peptides	20141001
WO-2016054250-A1	Anti-viral peptides	20141001
KR-101922542-B1	Compounds with cardiac myosin activating function and pharmaceutical composition containing the same for treating or preventing heart failure	20140321

PMID	Publication Date	Title	Journal
19148285	20080101	Synthesis, characterization, and in vitro cytotoxic activities of benzaldehyde thiosemicarbazone derivatives and their palladium (II) and platinum (II) complexes against various human tumor cell lines	Bioinorganic chemistry and applications
3017201	19860701	Thiosemicarbazones of 2-acetylpyridine, 2-acetylquinoline, 1-acetylisoquinoline, and related compounds as inhibitors of herpes simplex virus in vitro and in a cutaneous herpes guinea pig model	Antiviral research

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[108397-75-7]
2,4,6-Trimethylpyrimidine-5-carboxylic Acid

Complexity:	202
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:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.068413911
Rotatable Bond Count:	1
Topological Polar Surface Area:	30
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3