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Home Carboxys 1-benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

1-benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

CAS No.:
35975-86-1
Catalog Number:
AG01A12S
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
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Product Description
Catalog Number:
AG01A12S
Chemical Name:
1-benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CAS Number:
35975-86-1
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
MDL Number:
MFCD03861197
IUPAC Name:
1-benzyl-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C17H13NO3/c19-16-13-8-4-5-9-15(13)18(11-14(16)17(20)21)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,20,21)
InChI Key:
CCWROOWBCZEPAQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn(Cc2ccccc2)c2c(c1=O)cccc2
NSC Number:
144504
Properties
Complexity:
451  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.09g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
279.295g/mol
Monoisotopic Mass:
279.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Parallel synthesis of N-biaryl quinolone carboxylic acids as selective M(1) positive allosteric modulators. Bioorganic & medicinal chemistry letters 20100115
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties