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

C21H14F2N2O — CID 24899733

IUPAC4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-1,7-naphthyridin-7-ium
SMILESCc1ccccc1-c1c2nccc(-c3ccc(F)cc3F)c2cc[n+]1[O-]
InChIInChI=1S/C21H14F2N2O/c1-13-4-2-3-5-15(13)21-20-18(9-11-25(21)26)16(8-10-24-20)17-7-6-14(22)12-19(17)23/h2-12H,1H3
InChIKeyBSZQSLWNMVTKJT-UHFFFAOYSA-N
MW348.35 g/mol
LogP4.79
Rot. Bonds2

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

4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-1,7-naphthyridin-7-ium (PubChem CID 24899733) has the molecular formula C21H14F2N2O and a molecular weight of 348.35 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-1,7-naphthyridin-7-ium.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-1,7-naphthyridin-7-ium
PubChem CID24899733
Molecular FormulaC21H14F2N2O
Molecular Weight348.35 g/mol
Exact Mass348.11
IUPAC Name4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-1,7-naphthyridin-7-ium
SMILESCc1ccccc1-c1c2nccc(-c3ccc(F)cc3F)c2cc[n+]1[O-]
InChIInChI=1S/C21H14F2N2O/c1-13-4-2-3-5-15(13)21-20-18(9-11-25(21)26)16(8-10-24-20)17-7-6-14(22)12-19(17)23/h2-12H,1H3
InChIKeyBSZQSLWNMVTKJT-UHFFFAOYSA-N
XLogP4.79
TPSA39.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 54.79
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-1,7-naphthyridin-7-ium?
The IUPAC name of 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-1,7-naphthyridin-7-ium (CID 24899733) is 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-1,7-naphthyridin-7-ium.
What is the SMILES notation for 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-1,7-naphthyridin-7-ium?
The canonical SMILES for 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-1,7-naphthyridin-7-ium is Cc1ccccc1-c1c2nccc(-c3ccc(F)cc3F)c2cc[n+]1[O-].
What is the InChIKey of 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-1,7-naphthyridin-7-ium?
The InChIKey is BSZQSLWNMVTKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O/c1-13-4-2-3-5-15(13)21-20-18(9-11-25(21)26)16(8-10-24-20)17-7-6-14(22)12-19(17)23/h2-12H,1H3.
What are the key properties of 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-1,7-naphthyridin-7-ium?
4-(2,4-difluorophenyl)-8-(2-methylphenyl)-7-oxido-1,7-naphthyridin-7-ium has a molecular weight of 348.35 g/mol, XLogP of 4.79, 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-methylphenyl)-7-oxido-1,7-naphthyridin-7-ium is sourced from PubChem (CID 24899733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).