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Home Carboxys 3-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-6-phenoxy-

3-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-6-phenoxy-

CAS No.:
57278-51-0
Catalog Number:
AG01BE3M
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01BE3M
Chemical Name:
3-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-6-phenoxy-
CAS Number:
57278-51-0
MDL Number:
MFCD05744847
IUPAC Name:
4-oxo-6-phenoxy-1H-quinoline-3-carboxylic acid
InChI:
InChI=1S/C16H11NO4/c18-15-12-8-11(21-10-4-2-1-3-5-10)6-7-14(12)17-9-13(15)16(19)20/h1-9H,(H,17,18)(H,19,20)
InChI Key:
NTPGNGGZYMRORF-UHFFFAOYSA-N
Properties
Complexity:
453  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.069g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
281.267g/mol
Monoisotopic Mass:
281.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Evaluation of 3-carboxy-4(1H)-quinolones as inhibitors of human protein kinase CK2. Journal of medicinal chemistry 20061102
Properties