4-(2,4-difluorophenyl)-8-(2-fluorophenyl)-7-oxido-1,7-naphthyridin-7-ium

C20H11F3N2O — CID 24900231

IUPAC4-(2,4-difluorophenyl)-8-(2-fluorophenyl)-7-oxido-1,7-naphthyridin-7-ium
SMILES[O-][n+]1ccc2c(-c3ccc(F)cc3F)ccnc2c1-c1ccccc1F
InChIInChI=1S/C20H11F3N2O/c21-12-5-6-14(18(23)11-12)13-7-9-24-19-15(13)8-10-25(26)20(19)16-3-1-2-4-17(16)22/h1-11H
InChIKeyJPUMCKSXTCQYOX-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.62
Rot. Bonds2

About 4-(2,4-difluorophenyl)-8-(2-fluorophenyl)-7-oxido-1,7-naphthyridin-7-ium

4-(2,4-difluorophenyl)-8-(2-fluorophenyl)-7-oxido-1,7-naphthyridin-7-ium (PubChem CID 24900231) has the molecular formula C20H11F3N2O and a molecular weight of 352.32 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-8-(2-fluorophenyl)-7-oxido-1,7-naphthyridin-7-ium.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-8-(2-fluorophenyl)-7-oxido-1,7-naphthyridin-7-ium
PubChem CID24900231
Molecular FormulaC20H11F3N2O
Molecular Weight352.32 g/mol
Exact Mass352.08
IUPAC Name4-(2,4-difluorophenyl)-8-(2-fluorophenyl)-7-oxido-1,7-naphthyridin-7-ium
SMILES[O-][n+]1ccc2c(-c3ccc(F)cc3F)ccnc2c1-c1ccccc1F
InChIInChI=1S/C20H11F3N2O/c21-12-5-6-14(18(23)11-12)13-7-9-24-19-15(13)8-10-25(26)20(19)16-3-1-2-4-17(16)22/h1-11H
InChIKeyJPUMCKSXTCQYOX-UHFFFAOYSA-N
XLogP4.62
TPSA39.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-(2,4-difluorophenyl)-8-(2-fluorophenyl)-7-oxido-1,7-naphthyridin-7-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-8-(2-fluorophenyl)-7-oxido-1,7-naphthyridin-7-ium?
The IUPAC name of 4-(2,4-difluorophenyl)-8-(2-fluorophenyl)-7-oxido-1,7-naphthyridin-7-ium (CID 24900231) is 4-(2,4-difluorophenyl)-8-(2-fluorophenyl)-7-oxido-1,7-naphthyridin-7-ium.
What is the SMILES notation for 4-(2,4-difluorophenyl)-8-(2-fluorophenyl)-7-oxido-1,7-naphthyridin-7-ium?
The canonical SMILES for 4-(2,4-difluorophenyl)-8-(2-fluorophenyl)-7-oxido-1,7-naphthyridin-7-ium is [O-][n+]1ccc2c(-c3ccc(F)cc3F)ccnc2c1-c1ccccc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-8-(2-fluorophenyl)-7-oxido-1,7-naphthyridin-7-ium?
The InChIKey is JPUMCKSXTCQYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N2O/c21-12-5-6-14(18(23)11-12)13-7-9-24-19-15(13)8-10-25(26)20(19)16-3-1-2-4-17(16)22/h1-11H.
What are the key properties of 4-(2,4-difluorophenyl)-8-(2-fluorophenyl)-7-oxido-1,7-naphthyridin-7-ium?
4-(2,4-difluorophenyl)-8-(2-fluorophenyl)-7-oxido-1,7-naphthyridin-7-ium has a molecular weight of 352.32 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-8-(2-fluorophenyl)-7-oxido-1,7-naphthyridin-7-ium is sourced from PubChem (CID 24900231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).