4-Hydroxyquinoline-3-carboxaldehyde Benzyl Ether - CAS 1797843-18-5

Catalog:	BB060893
Product Name:	4-Hydroxyquinoline-3-carboxaldehyde Benzyl Ether
CAS:	1797843-18-5
Synonyms:	4-Hydroxy-3-quinolinecarboxaldehyde Benzyl Ether

Technical Data

IUPAC Name:	4-phenylmethoxyquinoline-3-carbaldehyde
Description:	4-Hydroxyquinoline-3-carboxaldehyde is a reactant used in the preparation of quinolinol derivative used in the identification of compounds that exhibit high specificity of binding toward SOD-1 in the presence of blood plasma.
Molecular Weight:	263.29
Molecular Formula:	C17H13NO2
Canonical SMILES:	C1=CC=C(C=C1)COC2=C(C=NC3=CC=CC=C32)C=O
InChI:	InChI=1S/C17H13NO2/c19-11-14-10-18-16-9-5-4-8-15(16)17(14)20-12-13-6-2-1-3-7-13/h1-11H,12H2
InChI Key:	GFDDMMJIZTZAGQ-UHFFFAOYSA-N
Solubility:	Dichloromethane, Methanol
Appearance:	Off-white Solid
References:	Nowak, R.J. et al. J. Med. Chem., 53, 2709 (2010).

Complexity:	314
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	263.094628657
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	263.094628657
Rotatable Bond Count:	4
Topological Polar Surface Area:	39.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1