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164662-42-4 | 3-Quinolinecarboxylic acid, 1-(2,4-dichlorophenyl)-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
CAS No: 164662-42-4 Catalog No: AG001V1A MDL No:
Product Description
Catalog Number:
AG001V1A
Chemical Name:
3-Quinolinecarboxylic acid, 1-(2,4-dichlorophenyl)-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
CAS Number:
164662-42-4
Molecular Formula:
C20H16Cl2FN3O3
Molecular Weight:
436.2637
IUPAC Name:
1-(2,4-dichlorophenyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
InChI:
InChI=1S/C20H16Cl2FN3O3/c21-11-1-2-16(14(22)7-11)26-10-13(20(28)29)19(27)12-8-15(23)18(9-17(12)26)25-5-3-24-4-6-25/h1-2,7-10,24H,3-6H2,(H,28,29)
InChI Key:
VBHUHSOYPDAOFN-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F
Properties
Complexity:
688
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.055g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
436.264g/mol
Monoisotopic Mass:
435.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Effect of lipophilicity at N-1 on activity of fluoroquinolones against mycobacteria. | Journal of medicinal chemistry 19950721 |
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