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122262-72-0 | 4-Quinolinecarboxylic acid, 2-[1,1'-biphenyl]-4-yl-6-fluoro-3-hydroxy-
CAS No: 122262-72-0 Catalog No: AG00170O MDL No:
Product Description
Catalog Number:
AG00170O
Chemical Name:
4-Quinolinecarboxylic acid, 2-[1,1'-biphenyl]-4-yl-6-fluoro-3-hydroxy-
CAS Number:
122262-72-0
Molecular Formula:
C22H14FNO3
Molecular Weight:
359.3499
IUPAC Name:
6-fluoro-3-hydroxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid
InChI:
InChI=1S/C22H14FNO3/c23-16-10-11-18-17(12-16)19(22(26)27)21(25)20(24-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,25H,(H,26,27)
InChI Key:
HVOMQBZOFIMPOL-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(C(=O)O)c(c(n2)c1ccc(cc1)c1ccccc1)O
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.096g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
359.356g/mol
Monoisotopic Mass:
359.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of quinoline salicylic acids as P-selectin antagonists. | Journal of medicinal chemistry 20070111 |
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