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

C21H14F2N2O2 — CID 24899735

IUPAC4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium
SMILESCOc1ccccc1-c1c2nccc(-c3ccc(F)cc3F)c2cc[n+]1[O-]
InChIInChI=1S/C21H14F2N2O2/c1-27-19-5-3-2-4-17(19)21-20-16(9-11-25(21)26)14(8-10-24-20)15-7-6-13(22)12-18(15)23/h2-12H,1H3
InChIKeyODGPMGCGKPOHFA-UHFFFAOYSA-N
MW364.35 g/mol
LogP4.49
Rot. Bonds3

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

4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium (PubChem CID 24899735) has the molecular formula C21H14F2N2O2 and a molecular weight of 364.35 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium
PubChem CID24899735
Molecular FormulaC21H14F2N2O2
Molecular Weight364.35 g/mol
Exact Mass364.10
IUPAC Name4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium
SMILESCOc1ccccc1-c1c2nccc(-c3ccc(F)cc3F)c2cc[n+]1[O-]
InChIInChI=1S/C21H14F2N2O2/c1-27-19-5-3-2-4-17(19)21-20-16(9-11-25(21)26)14(8-10-24-20)15-7-6-13(22)12-18(15)23/h2-12H,1H3
InChIKeyODGPMGCGKPOHFA-UHFFFAOYSA-N
XLogP4.49
TPSA49.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium?
The IUPAC name of 4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium (CID 24899735) is 4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium.
What is the SMILES notation for 4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium?
The canonical SMILES for 4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium is COc1ccccc1-c1c2nccc(-c3ccc(F)cc3F)c2cc[n+]1[O-].
What is the InChIKey of 4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium?
The InChIKey is ODGPMGCGKPOHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O2/c1-27-19-5-3-2-4-17(19)21-20-16(9-11-25(21)26)14(8-10-24-20)15-7-6-13(22)12-18(15)23/h2-12H,1H3.
What are the key properties of 4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium?
4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium has a molecular weight of 364.35 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-8-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium is sourced from PubChem (CID 24899735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).