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13180-35-3 | 3-Quinolinecarboxylic acid, 4-hydroxy-2-phenyl-
CAS No: 13180-35-3 Catalog No: AG000ZQR MDL No:MFCD00160573
Product Description
Catalog Number:
AG000ZQR
Chemical Name:
3-Quinolinecarboxylic acid, 4-hydroxy-2-phenyl-
CAS Number:
13180-35-3
Molecular Formula:
C16H11NO3
Molecular Weight:
265.2634
MDL Number:
MFCD00160573
IUPAC Name:
4-oxo-2-phenyl-1H-quinoline-3-carboxylic acid
InChI:
InChI=1S/C16H11NO3/c18-15-11-8-4-5-9-12(11)17-14(13(15)16(19)20)10-6-2-1-3-7-10/h1-9H,(H,17,18)(H,19,20)
InChI Key:
QGZKGXFOXVYJQE-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(nc2c(c1O)cccc2)c1ccccc1
NSC Number:
157401
Properties
Complexity:
449
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:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Synthesis and biological relationships of 3',6-substituted 2-phenyl-4-quinolone-3-carboxylic acid derivatives as antimitotic agents. | Bioorganic & medicinal chemistry 20050103 |
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