CAS 100490-72-0 | 1,8-Naphthyridine-3-carboxylic acid, 1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo- | CAS Number 100490-72-0

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100490-72-0 | 1,8-Naphthyridine-3-carboxylic acid, 1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-

CAS No: 100490-72-0 Catalog No: AG00023Y MDL No:

Product Description

Catalog Number:

AG00023Y

Chemical Name:

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

CAS Number:

100490-72-0

Molecular Formula:

C20H17F3N4O3

Molecular Weight:

418.3692

IUPAC Name:

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

InChI:

InChI=1S/C20H17F3N4O3/c1-10-8-26(5-4-24-10)19-15(23)7-12-17(28)13(20(29)30)9-27(18(12)25-19)16-3-2-11(21)6-14(16)22/h2-3,6-7,9-10,24H,4-5,8H2,1H3,(H,29,30)

InChI Key:

LZLPFPCKKKILRV-UHFFFAOYSA-N

SMILES:

CC1NCCN(C1)c1nc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F

Properties

Complexity:

723

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

418.125g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

418.376g/mol

Monoisotopic Mass:

418.125g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9

Literature

Title	Journal
Structure-activity relationships of quinolone agents against mycobacteria: effect of structural modifications at the 8 position.	Antimicrobial agents and chemotherapy 19961001