CAS 182869-10-9 | 3-Quinolinecarboxylic acid, 1-(2,4-difluorophenyl)-7-(4-ethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo- | CAS Number 182869-10-9

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182869-10-9 | 3-Quinolinecarboxylic acid, 1-(2,4-difluorophenyl)-7-(4-ethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-

CAS No: 182869-10-9 Catalog No: AG00247A MDL No:

Product Description

Catalog Number:

AG00247A

Chemical Name:

3-Quinolinecarboxylic acid, 1-(2,4-difluorophenyl)-7-(4-ethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-

CAS Number:

182869-10-9

Molecular Formula:

C22H19F4N3O3

Molecular Weight:

449.3982

IUPAC Name:

1-(2,4-difluorophenyl)-7-(4-ethylpiperazin-1-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

InChI:

InChI=1S/C22H19F4N3O3/c1-2-27-5-7-28(8-6-27)20-16(25)10-13-19(18(20)26)29(11-14(21(13)30)22(31)32)17-4-3-12(23)9-15(17)24/h3-4,9-11H,2,5-8H2,1H3,(H,31,32)

InChI Key:

DRNMUQPIMQPZRM-UHFFFAOYSA-N

SMILES:

CCN1CCN(CC1)c1c(F)cc2c(c1F)n(cc(c2=O)C(=O)O)c1ccc(cc1F)F

Properties

Complexity:

761

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

449.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

449.406g/mol

Monoisotopic Mass:

449.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

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