Home Carboxys 3-Hydroxy-2-phenylquinoline-4-carboxylic acid

3-Hydroxy-2-phenylquinoline-4-carboxylic acid

CAS No.:
485-89-2
Catalog Number:
AG006WPC
Molecular Formula:
C16H11NO3
Molecular Weight:
265.2634
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Product Description
Catalog Number:
AG006WPC
Chemical Name:
3-Hydroxy-2-phenylquinoline-4-carboxylic acid
CAS Number:
485-89-2
Molecular Formula:
C16H11NO3
Molecular Weight:
265.2634
MDL Number:
MFCD00023966
IUPAC Name:
3-hydroxy-2-phenylquinoline-4-carboxylic acid
InChI:
InChI=1S/C16H11NO3/c18-15-13(16(19)20)11-8-4-5-9-12(11)17-14(15)10-6-2-1-3-7-10/h1-9,18H,(H,19,20)
InChI Key:
XAPRFLSJBSXESP-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1
EC Number:
207-624-4
UNII:
UK6392GD5W
Properties
Complexity:
354  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.074g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
265.268g/mol
Monoisotopic Mass:
265.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Synthesis and biological evaluation of quinoline salicylic acids as P-selectin antagonists. Journal of medicinal chemistry 20070111
2-(4-Chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[H]quinoline-4-carboxylic acid (PSI-697): identification of a clinical candidate from the quinoline salicylic acid series of P-selectin antagonists. Journal of medicinal chemistry 20070111
Properties