CAS 7114-80-9 | 3-METHYLISOQUINOLIN-1(2H)-ONE | CAS Number 7114-80-9

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7114-80-9 | 3-METHYLISOQUINOLIN-1(2H)-ONE

CAS No: 7114-80-9 Catalog No: AG00FGHJ MDL No:MFCD03447190

Product Description

Catalog Number:

AG00FGHJ

Chemical Name:

3-METHYLISOQUINOLIN-1(2H)-ONE

CAS Number:

7114-80-9

Molecular Formula:

C10H9NO

Molecular Weight:

159.1846

MDL Number:

MFCD03447190

IUPAC Name:

3-methyl-2H-isoquinolin-1-one

InChI:

InChI=1S/C10H9NO/c1-7-6-8-4-2-3-5-9(8)10(12)11-7/h2-6H,1H3,(H,11,12)

InChI Key:

QAOMZDFCQJQQQS-UHFFFAOYSA-N

SMILES:

Cc1cc2ccccc2c(n1)O

Properties

Complexity:

232

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

159.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

159.188g/mol

Monoisotopic Mass:

159.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
Design and synthesis of triazolopyridazines substituted with methylisoquinolinone as selective c-Met kinase inhibitors.	Bioorganic & medicinal chemistry letters 20111201
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
Exceptional thermodynamic stability of DNA duplexes modified by nonpolar base analogues is due to increased stacking interactions and favorable solvation: Correlated ab initio calculations and molecular dynamics simulations.	Chemistry (Weinheim an der Bergstrasse, Germany) 20060424