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Home Carboxys Ethyl 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylate

Ethyl 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylate

CAS No.:
105404-65-7
Catalog Number:
AG0039XG
Molecular Formula:
C19H22FN3O3
Molecular Weight:
359.3947
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Product Description
Catalog Number:
AG0039XG
Chemical Name:
Ethyl 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylate
CAS Number:
105404-65-7
Molecular Formula:
C19H22FN3O3
Molecular Weight:
359.3947
MDL Number:
MFCD24038928
IUPAC Name:
ethyl 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate
InChI:
InChI=1S/C19H22FN3O3/c1-2-26-19(25)14-11-23(12-3-4-12)16-10-17(22-7-5-21-6-8-22)15(20)9-13(16)18(14)24/h9-12,21H,2-8H2,1H3
InChI Key:
CIADNHRRTXHFIO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn(C2CC2)c2c(c1=O)cc(c(c2)N1CCNCC1)F
Properties
Complexity:
601  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.165g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
359.401g/mol
Monoisotopic Mass:
359.165g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Discovery of novel inhibitors of the NorA multidrug transporter of Staphylococcus aureus. Journal of medicinal chemistry 20110113
From 6-aminoquinolone antibacterials to 6-amino-7-thiopyranopyridinylquinolone ethyl esters as inhibitors of Staphylococcus aureus multidrug efflux pumps. Journal of medicinal chemistry 20100610
Enhancement of the antimalarial activity of ciprofloxacin using a double prodrug/bioorganometallic approach. Journal of medicinal chemistry 20091224
Properties