2-Chloro-7-methylquinoline-3-carbaldehyde - CAS 68236-21-5

Catalog:	BB033501
Product Name:	2-Chloro-7-methylquinoline-3-carbaldehyde
CAS:	68236-21-5
Synonyms:	2-chloro-7-methyl-3-quinolinecarboxaldehyde; 2-chloro-7-methylquinoline-3-carbaldehyde

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Computed Properties

IUPAC Name:	2-chloro-7-methylquinoline-3-carbaldehyde
Description:	2-Chloro-7-methylquinoline-3-carbaldehyde (CAS# 68236-21-5) is a useful research chemical.
Molecular Weight:	205.64
Molecular Formula:	C11H8ClNO
Canonical SMILES:	CC1=CC2=NC(=C(C=C2C=C1)C=O)Cl
InChI:	InChI=1S/C11H8ClNO/c1-7-2-3-8-5-9(6-14)11(12)13-10(8)4-7/h2-6H,1H3
InChI Key:	YBNADSVXXWMWKH-UHFFFAOYSA-N
Boiling Point:	350.8 °C at 760 mmHg
Density:	1.312 g/cm³
Appearance:	Light brown crystalline powder
MDL:	MFCD01365806
LogP:	3.00910

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-3259271-B1	Fluorinated derivatives of 3-(2-oxo-3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)imidazolidin-1-yl)propanoic acid and uses thereof	20150219
US-2017291875-A1	Quinolones as inhibitors of class iv bromodomain proteins	20140901
TW-201524960-A	Substituted 6,7-dialkoxy-3-isoquinoline derivatives as inhibitors of phosphodiesterase 10 (PDE10A)	20131219

PMID	Publication Date	Title	Journal
21587537	20100911	N-[(2-Chloro-3-quinol-yl)meth-yl]-4-fluoro-aniline	Acta crystallographica. Section E, Structure reports online
21578318	20091013	2-Chloro-7-methyl-quinoline-3-carbaldehyde	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	221
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.0294416
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	205.0294416
Rotatable Bond Count:	1
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3