6-Chloro-2-quinolinecarboxaldehyde - CAS 59394-26-2

Catalog:	BB069534
Product Name:	6-Chloro-2-quinolinecarboxaldehyde
CAS:	59394-26-2
Synonyms:	6-Chlorochinoline-2-aldehyde; NSC 114749

Technical Data

IUPAC Name:	6-chloroquinoline-2-carbaldehyde
Description:	6-Chloro-2-quinolinecarboxaldehyde acts as a reagent for the design, synthesis and biological evaluation of 2-substituted quinoline library of potential antileishmanial agents. Synthesis and biological evaluation of quinoline derivative as HDAC class I inhibitors.
Molecular Weight:	191.61
Molecular Formula:	C10H6ClNO
Canonical SMILES:	C1=CC2=C(C=CC(=N2)C=O)C=C1Cl
InChI:	InChI=1S/C10H6ClNO/c11-8-2-4-10-7(5-8)1-3-9(6-13)12-10/h1-6H
InChI Key:	MDISQESZDBPYRY-UHFFFAOYSA-N
References:	Gopinath, V. S., et al. Eur. J. Med. Chem., 69, 527 (2013); Chen, C., et al. Eur. J. Med. Chem., 133, 11 (2017).

Complexity:	197
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.0137915
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	191.0137915
Rotatable Bond Count:	1
Topological Polar Surface Area:	30Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8