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Home Carboxys 2-([1,1'-Biphenyl]-4-yl);quinoline-4-carboxylic acid

2-([1,1'-Biphenyl]-4-yl);quinoline-4-carboxylic acid

CAS No.:
78660-92-1
Catalog Number:
AG0058S4
Molecular Formula:
C22H15NO2
Molecular Weight:
325.3600
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Product Description
Catalog Number:
AG0058S4
Chemical Name:
2-([1,1'-Biphenyl]-4-yl);quinoline-4-carboxylic acid
CAS Number:
78660-92-1
Molecular Formula:
C22H15NO2
Molecular Weight:
325.3600
MDL Number:
MFCD00178257
IUPAC Name:
2-(4-phenylphenyl)quinoline-4-carboxylic acid
InChI:
InChI=1S/C22H15NO2/c24-22(25)19-14-21(23-20-9-5-4-8-18(19)20)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14H,(H,24,25)
InChI Key:
VESNJOQCJLQZSK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)c1ccccc1
Properties
Complexity:
451  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.11g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
325.367g/mol
Monoisotopic Mass:
325.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Literature
Title Journal
Synthesis of 2-(4-biphenylyl)quinoline-4-carboxylate and carboxamide analogs. New human neurokinin-3 (hNK-3) receptor antagonists. Archiv der Pharmazie 20030601
Properties