2-Hydroxy-8-methylquinoline-3-carbaldehyde - CAS 101382-54-1

Catalog:	BB000494
Product Name:	2-Hydroxy-8-methylquinoline-3-carbaldehyde
CAS:	101382-54-1
Synonyms:	8-methyl-2-oxo-1H-quinoline-3-carbaldehyde

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Computed Properties

IUPAC Name:	8-methyl-2-oxo-1H-quinoline-3-carbaldehyde
Description:	2-Hydroxy-8-methylquinoline-3-carbaldehyde (CAS# 101382-54-1) is a useful research chemical.
Molecular Weight:	187.19
Molecular Formula:	C11H9NO2
Canonical SMILES:	CC1=CC=CC2=C1NC(=O)C(=C2)C=O
InChI:	InChI=1S/C11H9NO2/c1-7-3-2-4-8-5-9(6-13)11(14)12-10(7)8/h2-6H,1H3,(H,12,14)
InChI Key:	XCBIQEWBCTWEPZ-UHFFFAOYSA-N
Boiling Point:	421.5 °C at 760 mmHg
Purity:	95 %
Density:	1.309 g/cm³
LogP:	2.06130

Publication Number	Title	Priority Date
JP-WO2018181892-A1	Quinolinone compounds and anti-RNA virus drugs	20170331
WO-2018181892-A1	Quinolinone compound and anti-rna virus drug	20170331
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	20100416
WO-2008113006-A1	Methods of using quinolinone compounds in treating sodium channel-mediated diseases or conditions	20070314

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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	296
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.063328530
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	187.063328530
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4