CAS 144634-02-6 | 3-Quinolinecarboxylicacid,1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-8-(trifluoromethyl)- | CAS Number 144634-02-6

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144634-02-6 | 3-Quinolinecarboxylicacid,1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-8-(trifluoromethyl)-

CAS No: 144634-02-6 Catalog No: AG001JW6 MDL No:

Product Description

Catalog Number:

AG001JW6

Chemical Name:

3-Quinolinecarboxylicacid,1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-8-(trifluoromethyl)-

CAS Number:

144634-02-6

Molecular Formula:

C20H21F4N3O3

Molecular Weight:

427.3927

IUPAC Name:

1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid

InChI:

InChI=1S/C20H21F4N3O3/c1-9-6-26(7-10(2)25-9)17-14(21)5-12-16(15(17)20(22,23)24)27(11-3-4-11)8-13(18(12)28)19(29)30/h5,8-11,25H,3-4,6-7H2,1-2H3,(H,29,30)

InChI Key:

PMDYOPDUZHOKIT-UHFFFAOYSA-N

SMILES:

CC1NC(C)CN(C1)c1c(F)cc2c(c1C(F)(F)F)n(cc(c2=O)C(=O)O)C1CC1

Properties

Complexity:

744

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

427.152g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

427.4g/mol

Monoisotopic Mass:

427.152g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

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