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100505-13-3 | 1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-
CAS No: 100505-13-3 Catalog No: AG000276 MDL No:
Product Description
Catalog Number:
AG000276
Chemical Name:
1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-
CAS Number:
100505-13-3
Molecular Formula:
C16H19FN4O3
Molecular Weight:
334.3455
IUPAC Name:
1-ethyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
InChI:
InChI=1S/C16H19FN4O3/c1-3-20-8-11(16(23)24)13(22)10-6-12(17)15(19-14(10)20)21-5-4-18-9(2)7-21/h6,8-9,18H,3-5,7H2,1-2H3,(H,23,24)
InChI Key:
CTWWBBSFJSJIDU-UHFFFAOYSA-N
SMILES:
CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNC(C1)C)c(c2)F
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.144g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.351g/mol
Monoisotopic Mass:
334.144g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Structure-activity relationships of quinolone agents against mycobacteria: effect of structural modifications at the 8 position. | Antimicrobial agents and chemotherapy 19961001 |
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