CAS 182868-63-9 | 3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-8-methoxy-4-oxo- | CAS Number 182868-63-9

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182868-63-9 | 3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-

CAS No: 182868-63-9 Catalog No: AG00246B MDL No:

Product Description

Catalog Number:

AG00246B

Chemical Name:

3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-

CAS Number:

182868-63-9

Molecular Formula:

C20H24FN3O4

Molecular Weight:

389.4207

IUPAC Name:

1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

InChI:

InChI=1S/C20H24FN3O4/c1-3-22-6-8-23(9-7-22)17-15(21)10-13-16(19(17)28-2)24(12-4-5-12)11-14(18(13)25)20(26)27/h10-12H,3-9H2,1-2H3,(H,26,27)

InChI Key:

RPOIMOQCZMUAJR-UHFFFAOYSA-N

SMILES:

CCN1CCN(CC1)c1c(F)cc2c(c1OC)n(cc(c2=O)C(=O)O)C1CC1

Properties

Complexity:

660

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

389.175g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

389.427g/mol

Monoisotopic Mass:

389.175g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3

Literature

Title	Journal
Mutant prevention concentration as a measure of fluoroquinolone potency against mycobacteria.	Antimicrobial agents and chemotherapy 20001201
Prediction of quinolone activity against Mycobacterium avium by molecular topology and virtual computational screening.	Antimicrobial agents and chemotherapy 20001001
Fluoroquinolone action against mycobacteria: effects of C-8 substituents on growth, survival, and resistance.	Antimicrobial agents and chemotherapy 19981101
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