CAS 116163-02-1 | 3-Quinolinecarboxylic acid, 1-(1,1-dimethylethyl)-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo- | CAS Number 116163-02-1

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Carboxes > 116163-02-1

116163-02-1 | 3-Quinolinecarboxylic acid, 1-(1,1-dimethylethyl)-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-

CAS No: 116163-02-1 Catalog No: AG000BSC MDL No:

Product Description

Catalog Number:

AG000BSC

Chemical Name:

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

CAS Number:

116163-02-1

Molecular Formula:

C19H24FN3O3

Molecular Weight:

361.4106

IUPAC Name:

1-tert-butyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid

InChI:

InChI=1S/C19H24FN3O3/c1-11-9-22(6-5-21-11)16-8-15-12(7-14(16)20)17(24)13(18(25)26)10-23(15)19(2,3)4/h7-8,10-11,21H,5-6,9H2,1-4H3,(H,25,26)

InChI Key:

ZMTUMOZDZAJLFA-UHFFFAOYSA-N

SMILES:

CC1NCCN(C1)c1cc2c(cc1F)c(=O)c(cn2C(C)(C)C)C(=O)O

Properties

Complexity:

616

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

361.18g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

361.417g/mol

Monoisotopic Mass:

361.18g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.1

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
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