CAS 131776-00-6 | 3-Quinolinecarboxylicacid, 1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo- | CAS Number 131776-00-6

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131776-00-6 | 3-Quinolinecarboxylicacid, 1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-

CAS No: 131776-00-6 Catalog No: AG000ZQA MDL No:

Product Description

Catalog Number:

AG000ZQA

Chemical Name:

3-Quinolinecarboxylicacid, 1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-

CAS Number:

131776-00-6

Molecular Formula:

C19H21F2N3O3

Molecular Weight:

377.3851

IUPAC Name:

1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

InChI:

InChI=1S/C19H21F2N3O3/c1-2-22-5-7-23(8-6-22)17-14(20)9-12-16(15(17)21)24(11-3-4-11)10-13(18(12)25)19(26)27/h9-11H,2-8H2,1H3,(H,26,27)

InChI Key:

YAHXZADEQGUPRE-UHFFFAOYSA-N

SMILES:

CCN1CCN(CC1)c1c(F)cc2c(c1F)n(cc(c2=O)C(=O)O)C1CC1

Properties

Complexity:

646

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

377.155g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

377.392g/mol

Monoisotopic Mass:

377.155g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5

Literature

Title	Journal
Mutant prevention concentration as a measure of fluoroquinolone potency against mycobacteria.	Antimicrobial agents and chemotherapy 20001201
Structure-activity relationships of quinolone agents against mycobacteria: effect of structural modifications at the 8 position.	Antimicrobial agents and chemotherapy 19961001