Name: Name:3-Quinolinecarboxylicacid, 1-cyclopropyl-6-fluoro-7-(4-formyl-1-piperazinyl)-1,4-dihydro-4-oxo-
Brand: Angene
SKU: AG0061ZE
Rating: 90 (10 reviews)

3-Quinolinecarboxylicacid, 1-cyclopropyl-6-fluoro-7-(4-formyl-1-piperazinyl)-1,4-dihydro-4-oxo-

CAS No.:

93594-39-9

Catalog Number:

AG0061ZE

Molecular Formula:

C18H18FN3O4

Molecular Weight:

359.3516

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Product Description

Catalog Number:

AG0061ZE

Chemical Name:

3-Quinolinecarboxylicacid, 1-cyclopropyl-6-fluoro-7-(4-formyl-1-piperazinyl)-1,4-dihydro-4-oxo-

CAS Number:

93594-39-9

Molecular Formula:

C18H18FN3O4

Molecular Weight:

359.3516

MDL Number:

MFCD04973604

IUPAC Name:

1-cyclopropyl-6-fluoro-7-(4-formylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid

InChI:

InChI=1S/C18H18FN3O4/c19-14-7-12-15(8-16(14)21-5-3-20(10-23)4-6-21)22(11-1-2-11)9-13(17(12)24)18(25)26/h7-11H,1-6H2,(H,25,26)

InChI Key:

KCXCSXLUYCTARV-UHFFFAOYSA-N

SMILES:

O=CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O

Properties

Complexity:

642

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

359.128g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

359.357g/mol

Monoisotopic Mass:

359.128g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Preparation and antibacterial evaluation of decarboxylated fluoroquinolones.	Bioorganic & medicinal chemistry letters 20111001
Environmental metabolites of fluoroquinolones: synthesis, fractionation and toxicological assessment of some biologically active metabolites of ciprofloxacin.	Environmental science and pollution research international 20110801
1-Cyclo-propyl-6-fluoro-7-(4-nitro-so-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid.	Acta crystallographica. Section E, Structure reports online 20090801
The fungus Pestalotiopsis guepini as a model for biotransformation of ciprofloxacin and norfloxacin.	Applied microbiology and biotechnology 20010801