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116162-91-5 | 1,8-Naphthyridine-3-carboxylic acid, 1-(1,1-dimethylethyl)-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
CAS No: 116162-91-5 Catalog No: AG000BSE MDL No:
Product Description
Catalog Number:
AG000BSE
Chemical Name:
1,8-Naphthyridine-3-carboxylic acid, 1-(1,1-dimethylethyl)-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
CAS Number:
116162-91-5
Molecular Formula:
C17H21FN4O3
Molecular Weight:
348.3720
IUPAC Name:
1-tert-butyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
InChI:
InChI=1S/C17H21FN4O3/c1-17(2,3)22-9-11(16(24)25)13(23)10-8-12(18)15(20-14(10)22)21-6-4-19-5-7-21/h8-9,19H,4-7H2,1-3H3,(H,24,25)
InChI Key:
DEYKINRXCLHCDG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn(c2c(c1=O)cc(c(n2)N1CCNCC1)F)C(C)(C)C
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.16g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
348.378g/mol
Monoisotopic Mass:
348.16g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Prediction of quinolone activity against Mycobacterium avium by molecular topology and virtual computational screening. | Antimicrobial agents and chemotherapy 20001001 |
| Activity of new quinolones against intracellular Mycobacterium avium in human monocytes. | The Journal of antimicrobial chemotherapy 19971201 |
| 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 |
| Activity of quinolones against mycobacteria. | Drugs 19950101 |
| A bone marrow-derived murine macrophage model for evaluating efficacy of antimycobacterial drugs under relevant physiological conditions. | Antimicrobial agents and chemotherapy 19941101 |
| Anti-Mycobacterium avium activity of quinolones: in vitro activities. | Antimicrobial agents and chemotherapy 19930901 |
| Fluoronaphthyridines as antibacterial agents. 4. Synthesis and structure-activity relationships of 5-substituted-6-fluoro-7-(cycloalkylamino)-1,4-dihydro-4-oxo-1,8- naphthyridine-3-carboxylic acids. | Journal of medicinal chemistry 19920207 |
| Fluoronaphthyridines and -quinolones as antibacterial agents. 3. Synthesis and structure-activity relationships of new 1-(1,1-dimethyl-2-fluoroethyl), 1-[1-methyl-1-(fluoromethyl)-2-fluoroethyl], and 1-[1,1-(difluoromethyl)-2-fluoroethyl] substituted derivatives. | Journal of medicinal chemistry 19910101 |
| Fluoronaphthyridines and quinolones as antibacterial agents. 2. Synthesis and structure-activity relationships of new 1-tert-butyl 7-substituted derivatives. | Journal of medicinal chemistry 19900501 |
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