1,4-Dimethylquinolin-2(1H)-one - CAS 2584-47-6

Name: 1,4-Dimethylquinolin-2(1H)-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB019045
Product Name:	1,4-Dimethylquinolin-2(1H)-one
CAS:	2584-47-6
Synonyms:	1,4-dimethyl-2-quinolinone; 1,4-dimethylquinolin-2-one

Technical Data

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Computed Properties

IUPAC Name:	1,4-dimethylquinolin-2-one
Description:	1,4-Dimethyl-2-quinolone is a building block to varieties of SYBR Dyes.
Molecular Weight:	173.21
Molecular Formula:	C11H11NO
Canonical SMILES:	CC1=CC(=O)N(C2=CC=CC=C12)C
InChI:	InChI=1S/C11H11NO/c1-8-7-11(13)12(2)10-6-4-3-5-9(8)10/h3-7H,1-2H3
InChI Key:	CEONKCOBRZOYJS-UHFFFAOYSA-N
Boiling Point:	260.4 °C at 760 mmHg
Density:	1.116 g/cm³
Solubility:	>26 [ug/mL] (The mean of the results at pH 7.4)
LogP:	1.84690

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

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Publication Number	Title	Priority Date
KR-20210087960-A	Compounds for Inhibition of Alpha4Î²7 Integrin	20181030
WO-2018163217-A2	A catalyst bound alpha radical and synthesis of oxo compounds using the same	20170310
US-2021147364-A1	A catalyst bound alpha radical and synthesis of oxo compounds using the same	20170310
US-2017291875-A1	Quinolones as inhibitors of class iv bromodomain proteins	20140901
WO-2016034512-A1	Quinolones as inhibitors of class iv bromodomain proteins	20140901

PMID	Publication Date	Title	Journal
21126022	20110113	Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase	Journal of medicinal chemistry
19265439	20090409	Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities	Journal of medicinal chemistry

Complexity:	257
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.084063974
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	173.084063974
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4