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Home Carboxys 1-Cyclopropyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

1-Cyclopropyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

CAS No.:
103460-89-5
Catalog Number:
AG007XI9
Molecular Formula:
C18H19F2N3O3
Molecular Weight:
363.3586
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Product Description
Catalog Number:
AG007XI9
Chemical Name:
1-Cyclopropyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CAS Number:
103460-89-5
Molecular Formula:
C18H19F2N3O3
Molecular Weight:
363.3586
MDL Number:
MFCD18379316
IUPAC Name:
1-cyclopropyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C18H19F2N3O3/c1-9-7-22(5-4-21-9)16-13(19)6-11-15(14(16)20)23(10-2-3-10)8-12(17(11)24)18(25)26/h6,8-10,21H,2-5,7H2,1H3,(H,25,26)
InChI Key:
ZHKOPMSOBOQYRH-UHFFFAOYSA-N
SMILES:
CC1NCCN(C1)c1c(F)cc2c(c1F)n(cc(c2=O)C(=O)O)C1CC1
Properties
Complexity:
639  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.139g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
363.365g/mol
Monoisotopic Mass:
363.139g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Literature
Title Journal
Preparation and antibacterial evaluation of decarboxylated fluoroquinolones. Bioorganic & medicinal chemistry letters 20111001
Mutant prevention concentration as a measure of fluoroquinolone potency against mycobacteria. Antimicrobial agents and chemotherapy 20001201
Prediction of quinolone activity against Mycobacterium avium by molecular topology and virtual computational screening. Antimicrobial agents and chemotherapy 20001001
Structure-activity relationships of quinolone agents against mycobacteria: effect of structural modifications at the 8 position. Antimicrobial agents and chemotherapy 19961001
Comparison of the activity of fluoroquinolones against Mycobacterium avium in cell-free systems and a human monocyte in-vitro infection model. The Journal of antimicrobial chemotherapy 19960301
Antimycobacterial quinolones: a comparative analysis of structure-activity and structure-cytotoxicity relationships. Research in microbiology 19960101
Comparison of activities of fluoroquinolones in murine macrophages infected with Mycobacterium tuberculosis. Antimicrobial agents and chemotherapy 19950301
Activity of quinolones against mycobacteria. Drugs 19950101
In vitro anti-Mycobacterium avium activities of quinolones: predicted active structures and mechanistic considerations. Antimicrobial agents and chemotherapy 19940801
Properties