CAS 116162-85-7 | 3-Quinolinecarboxylic acid, 1-(1,1-dimethylethyl)-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo- | CAS Number 116162-85-7

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Carboxes > 116162-85-7

116162-85-7 | 3-Quinolinecarboxylic acid, 1-(1,1-dimethylethyl)-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-

CAS No: 116162-85-7 Catalog No: AG000BSF MDL No:

Product Description

Catalog Number:

AG000BSF

Chemical Name:

3-Quinolinecarboxylic acid, 1-(1,1-dimethylethyl)-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-

CAS Number:

116162-85-7

Molecular Formula:

C20H26FN3O3

Molecular Weight:

375.4371

IUPAC Name:

1-tert-butyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid

InChI:

InChI=1S/C20H26FN3O3/c1-11-8-23(9-12(2)22-11)17-7-16-13(6-15(17)21)18(25)14(19(26)27)10-24(16)20(3,4)5/h6-7,10-12,22H,8-9H2,1-5H3,(H,26,27)

InChI Key:

ZKXANRKOHXSTKC-UHFFFAOYSA-N

SMILES:

CC1NC(C)CN(C1)c1cc2c(cc1F)c(=O)c(cn2C(C)(C)C)C(=O)O

Properties

Complexity:

635

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

375.196g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

375.444g/mol

Monoisotopic Mass:

375.196g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3

Literature

Title	Journal
Structure-activity relationships of the quinolone antibacterials against mycobacteria: effect of structural changes at N-1 and C-7.	Journal of medicinal chemistry 19960202
Fluoronaphthyridines and quinolones as antibacterial agents. 2. Synthesis and structure-activity relationships of new 1-tert-butyl 7-substituted derivatives.	Journal of medicinal chemistry 19900501