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

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

CAS No: 2584-47-6 Catalog No: AG007NL0 MDL No:MFCD01013782

Product Description

Catalog Number:

AG007NL0

Chemical Name:

1,4-Dimethylquinolin-2(1H);-one

CAS Number:

2584-47-6

Molecular Formula:

C11H11NO

Molecular Weight:

173.2111

MDL Number:

MFCD01013782

IUPAC Name:

1,4-dimethylquinolin-2-one

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

SMILES:

Cc1cc(=O)n(c2c1cccc2)C

UNII:

6WT6AG3ZQJ

NSC Number:

108420

Properties

Complexity:

257

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

173.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

173.215g/mol

Monoisotopic Mass:

173.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase.	Journal of medicinal chemistry 20110113
Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities.	Journal of medicinal chemistry 20090409
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501