CAS 85418-73-1 | 6-Ethyl-4-hydroxyquinoline-3-carboxylic acid ethyl ester | CAS Number 85418-73-1

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85418-73-1 | 6-Ethyl-4-hydroxyquinoline-3-carboxylic acid ethyl ester

CAS No: 85418-73-1 Catalog No: AG004O59 MDL No:

Product Description

Catalog Number:

AG004O59

Chemical Name:

6-Ethyl-4-hydroxyquinoline-3-carboxylic acid ethyl ester

CAS Number:

85418-73-1

Molecular Formula:

C14H15NO3

Molecular Weight:

245.2738

IUPAC Name:

ethyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate

InChI:

InChI=1S/C14H15NO3/c1-3-9-5-6-12-10(7-9)13(16)11(8-15-12)14(17)18-4-2/h5-8H,3-4H2,1-2H3,(H,15,16)

InChI Key:

ZFOFJXFVCJQXBL-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1c[nH]c2c(c1=O)cc(cc2)CC

Properties

Complexity:

375

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.278g/mol

Monoisotopic Mass:

245.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Affinity of 3-acyl substituted 4-quinolones at the benzodiazepine site of GABA(A) receptors.	Bioorganic & medicinal chemistry 20080715
4-quinolone derivatives: high-affinity ligands at the benzodiazepine site of brain GABA A receptors. synthesis, pharmacology, and pharmacophore modeling.	Journal of medicinal chemistry 20060420