4-(2,4-difluorophenyl)-8-(2,6-dimethoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium

C22H16F2N2O3 — CID 24896765

IUPAC4-(2,4-difluorophenyl)-8-(2,6-dimethoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium
SMILESCOc1cccc(OC)c1-c1c2nccc(-c3ccc(F)cc3F)c2cc[n+]1[O-]
InChIInChI=1S/C22H16F2N2O3/c1-28-18-4-3-5-19(29-2)20(18)22-21-16(9-11-26(22)27)14(8-10-25-21)15-7-6-13(23)12-17(15)24/h3-12H,1-2H3
InChIKeyXWAAUXLCOGNSMI-UHFFFAOYSA-N
MW394.38 g/mol
LogP4.50
Rot. Bonds4

About 4-(2,4-difluorophenyl)-8-(2,6-dimethoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium

4-(2,4-difluorophenyl)-8-(2,6-dimethoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium (PubChem CID 24896765) has the molecular formula C22H16F2N2O3 and a molecular weight of 394.38 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-8-(2,6-dimethoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-8-(2,6-dimethoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium
PubChem CID24896765
Molecular FormulaC22H16F2N2O3
Molecular Weight394.38 g/mol
Exact Mass394.11
IUPAC Name4-(2,4-difluorophenyl)-8-(2,6-dimethoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium
SMILESCOc1cccc(OC)c1-c1c2nccc(-c3ccc(F)cc3F)c2cc[n+]1[O-]
InChIInChI=1S/C22H16F2N2O3/c1-28-18-4-3-5-19(29-2)20(18)22-21-16(9-11-26(22)27)14(8-10-25-21)15-7-6-13(23)12-17(15)24/h3-12H,1-2H3
InChIKeyXWAAUXLCOGNSMI-UHFFFAOYSA-N
XLogP4.50
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,7-Dimethoxy-3-(4-pyridinyl)quinoline
CID 3139
7-(3,5-Dimethoxyphenyl)-1,6-naphthyridine
CID 44142284
7-(3,5-Dimethoxyphenyl)-2-methyl-1,6-naphthyridine
CID 44434752
8-(2,6-Difluorophenyl)-4-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium
CID 24897876
4-(2,4-Difluorophenyl)-8-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium
CID 24899735
DMPQ Dihydrochloride
CID 45073427
3-(3,5-Dimethoxyphenyl)-7-fluoroisoquinoline
CID 25058385
2-(4-Fluorophenyl)-4-(4-methoxyphenyl)-1,5-naphthyridine
CID 145949357
2-(3-Methoxyphenyl)-4-phenyl-1,5-naphthyridine
CID 145954110
4-(4-Methoxyphenyl)-2-(4-nitrophenyl)-1,5-naphthyridine
CID 145958708
N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(2,6-dimethoxyphenyl)quinolin-4-amine
CID 164609627
3-(3,5-Dimethoxyphenyl)-6-fluoroisoquinoline
CID 25058376

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-8-(2,6-dimethoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium?
The IUPAC name of 4-(2,4-difluorophenyl)-8-(2,6-dimethoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium (CID 24896765) is 4-(2,4-difluorophenyl)-8-(2,6-dimethoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium.
What is the SMILES notation for 4-(2,4-difluorophenyl)-8-(2,6-dimethoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium?
The canonical SMILES for 4-(2,4-difluorophenyl)-8-(2,6-dimethoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium is COc1cccc(OC)c1-c1c2nccc(-c3ccc(F)cc3F)c2cc[n+]1[O-].
What is the InChIKey of 4-(2,4-difluorophenyl)-8-(2,6-dimethoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium?
The InChIKey is XWAAUXLCOGNSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O3/c1-28-18-4-3-5-19(29-2)20(18)22-21-16(9-11-26(22)27)14(8-10-25-21)15-7-6-13(23)12-17(15)24/h3-12H,1-2H3.
What are the key properties of 4-(2,4-difluorophenyl)-8-(2,6-dimethoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium?
4-(2,4-difluorophenyl)-8-(2,6-dimethoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium has a molecular weight of 394.38 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-8-(2,6-dimethoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium is sourced from PubChem (CID 24896765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).