CAS 182869-25-6 | 1,8-Naphthyridine-3-carboxylic acid, 1-(2,4-difluorophenyl)-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo- | CAS Number 182869-25-6

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182869-25-6 | 1,8-Naphthyridine-3-carboxylic acid, 1-(2,4-difluorophenyl)-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-

CAS No: 182869-25-6 Catalog No: AG002474 MDL No:

Product Description

Catalog Number:

AG002474

Chemical Name:

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

CAS Number:

182869-25-6

Molecular Formula:

C21H19F3N4O3

Molecular Weight:

432.3958

IUPAC Name:

1-(2,4-difluorophenyl)-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

InChI:

InChI=1S/C21H19F3N4O3/c1-10-7-27(8-11(2)25-10)20-16(24)6-13-18(29)14(21(30)31)9-28(19(13)26-20)17-4-3-12(22)5-15(17)23/h3-6,9-11,25H,7-8H2,1-2H3,(H,30,31)

InChI Key:

BCZKYBWWGIIFRH-UHFFFAOYSA-N

SMILES:

CC1NC(C)CN(C1)c1nc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F

Properties

Complexity:

743

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

432.141g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

432.403g/mol

Monoisotopic Mass:

432.141g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

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