CAS 100490-19-5 | 1,8-Naphthyridine-3-carboxylic acid, 1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)- | CAS Number 100490-19-5

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100490-19-5 | 1,8-Naphthyridine-3-carboxylic acid, 1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-

CAS No: 100490-19-5 Catalog No: AG000241 MDL No:

Product Description

Catalog Number:

AG000241

Chemical Name:

1,8-Naphthyridine-3-carboxylic acid, 1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-

CAS Number:

100490-19-5

Molecular Formula:

C19H15F3N4O3

Molecular Weight:

404.3426

IUPAC Name:

1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid

InChI:

InChI=1S/C19H15F3N4O3/c20-10-1-2-15(13(21)7-10)26-9-12(19(28)29)16(27)11-8-14(22)18(24-17(11)26)25-5-3-23-4-6-25/h1-2,7-9,23H,3-6H2,(H,28,29)

InChI Key:

CVAQZAKLVQJAQT-UHFFFAOYSA-N

SMILES:

Fc1ccc(c(c1)F)n1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F

Properties

Complexity:

688

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

404.11g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

404.349g/mol

Monoisotopic Mass:

404.11g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5

Literature

Title	Journal
Prediction of quinolone activity against Mycobacterium avium by molecular topology and virtual computational screening.	Antimicrobial agents and chemotherapy 20001001
N-1-tert-butyl-substituted quinolones: in vitro anti-Mycobacterium avium activities and structure-activity relationship studies.	Antimicrobial agents and chemotherapy 19961101
Structure-activity relationships of quinolone agents against mycobacteria: effect of structural modifications at the 8 position.	Antimicrobial agents and chemotherapy 19961001
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