Moxifloxacin

Athanor · official

C₂₁H₂₄FN₃O₄ · 401.4 g/mol

IUPAC name: 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

Also called Avelox, fluoroquinolone, respiratory quinolone

Drugs

Open in Athanor

Drawn from its SMILES with RDKit

WarningHarmful if swallowed · Causes serious eye irritation · Harmful to aquatic life with long lasting effects

Names and identifiers

IUPAC name: 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
Synonyms: Avelox, fluoroquinolone, respiratory quinolone
+ 37 more
Moxifloxacine, Zimoxin, Avelox IV, Moxifloxacino, U188XYD42P, Izilox, 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-((4aS,7aS)-octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid, 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid, CHEBI:63611, 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-, DTXSID3048491, Actira, Avalox, BAY128039, BAY-128039, 7-[(4aS,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Avelox I.V., 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-((4aS,7aS)-octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-, moxifloxacinum, 7-((4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo(3,4-b)pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid, 7-((4aS,7aS)-octahydro-1H-pyrrolo(3,4-b)pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, RefChem:6043, DTXCID9028465, J01MA14, S01AE07, 1-cyclopropyl--7-(2,8-diazabicyclo(4.3.0)non-8-yl)-6-fluoro-8-methoxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid, 604-773-0, 7-((4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo(3,4-b)pyridin-1-ium-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate, Avolex, UNII-U188XYD42P, 1-Cyclopropyl-6-fluoro-7-((4aS,7aS)-hexahydro-1H-pyrrolo[3,4-b]pyridin-6(2H)-yl)-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, MFCD04117996, CCRIS 8690, Moxifloxacin (INN), 1-Cyclopropyl-6-Fluoro-8-Methoxy-7-[(4as,7as)-Octahydro-6h-Pyrrolo[3,4-B]pyridin-6-Yl]-4-Oxo-1,4-Dihydroquinoline-3-Carboxylic Acid, MOXIFLOXACIN [INN], Moxifloxacin [INN:BAN]
Molecular formula: C₂₁H₂₄FN₃O₄
Empirical formula: C₂₁H₂₄FN₃O₄
Molecular weight: 401.4 g/mol
Exact mass: 401.17508
CAS number: 151096-09-2
PubChem CID: 152946
Canonical SMILES: COC1=C2C(=CC(=C1N3CC4CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O
Isomeric SMILES: COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O
InChI: InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1
InChIKey: FABPRXSRWADJSP-MEDUHNTESA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Calculated

Heavy atoms: 29
Rings: 5
Aromatic rings: 2
Fraction sp³ carbons (Fsp3): 0.52
H-bond donors: 2
H-bond acceptors: 5 computed here · PubChem 8
Rotatable bonds: 4
TPSA (Å²): 83.8 computed here · PubChem 82.1
Formal charge: 0
XLogP3: 0.6 PubChem
Complexity: 727 PubChem
Stereocenters: 2 definedCIP: C23: S · C28: S
Double-bond geometry: None specified
Point group: C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C62.83%
H6.03%
F4.73%
N10.47%
O15.94%

Isotope pattern

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P: 2.37 Crippen (Wildman and Crippen 1999)
log S (water solubility): -3.81 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 3.51 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 401.44
log P ≤ 5 (Crippen): 2.37
H-bond donors ≤ 5: 2
H-bond acceptors ≤ 10: 5

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Warning

Most widely reported: 27 company reports to ECHA. Source [2].

Harmful or irritant

H302Harmful if swallowed
H319Causes serious eye irritation (96.3% of reports)
H412Harmful to aquatic life with long lasting effects (88.9% of reports)

Precautionary statements: P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Storage

Store at 25 °C (77 °F); excursions permitted to 15-30 °C (59-86 °F)[1]
Store in tight, light-resistant container as defined in the usp-nf. This material should be handled and stored per label instructions to ensure product integrity. (moxifloxacin hydrochloride)[1]

Safety data sheets on the supplier’s page: MuseChem, AvaChem Scientific, 10X CHEM.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

[1]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[2]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[3]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[4]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[5]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
[6]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
·Literature on PubChem

Data last updated 2026-10-14.