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155188-32-2 | 3-Quinolinecarboxylic acid, 6-fluoro-1,4-dihydro-1-(2-methylphenyl)-4-oxo-7-(1-piperazinyl)-
CAS No: 155188-32-2 Catalog No: AG001NOP MDL No:
Product Description
Catalog Number:
AG001NOP
Chemical Name:
3-Quinolinecarboxylic acid, 6-fluoro-1,4-dihydro-1-(2-methylphenyl)-4-oxo-7-(1-piperazinyl)-
CAS Number:
155188-32-2
Molecular Formula:
C21H20FN3O3
Molecular Weight:
381.4002
IUPAC Name:
6-fluoro-1-(2-methylphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
InChI:
InChI=1S/C21H20FN3O3/c1-13-4-2-3-5-17(13)25-12-15(21(27)28)20(26)14-10-16(22)19(11-18(14)25)24-8-6-23-7-9-24/h2-5,10-12,23H,6-9H2,1H3,(H,27,28)
InChI Key:
UNDKSFYVMMPOSB-UHFFFAOYSA-N
SMILES:
Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)c1ccccc1C
Properties
Complexity:
649
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.149g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
381.407g/mol
Monoisotopic Mass:
381.149g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Effect of lipophilicity at N-1 on activity of fluoroquinolones against mycobacteria. | Journal of medicinal chemistry 19950721 |
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