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

C22H16F2N2O — CID 24899731

IUPAC4-(2,4-difluorophenyl)-8-(2,6-dimethylphenyl)-7-oxido-1,7-naphthyridin-7-ium
SMILESCc1cccc(C)c1-c1c2nccc(-c3ccc(F)cc3F)c2cc[n+]1[O-]
InChIInChI=1S/C22H16F2N2O/c1-13-4-3-5-14(2)20(13)22-21-18(9-11-26(22)27)16(8-10-25-21)17-7-6-15(23)12-19(17)24/h3-12H,1-2H3
InChIKeyOYTNRUXGIFGYKR-UHFFFAOYSA-N
MW362.38 g/mol
LogP5.10
Rot. Bonds2

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

4-(2,4-difluorophenyl)-8-(2,6-dimethylphenyl)-7-oxido-1,7-naphthyridin-7-ium (PubChem CID 24899731) has the molecular formula C22H16F2N2O and a molecular weight of 362.38 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-8-(2,6-dimethylphenyl)-7-oxido-1,7-naphthyridin-7-ium.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-8-(2,6-dimethylphenyl)-7-oxido-1,7-naphthyridin-7-ium
PubChem CID24899731
Molecular FormulaC22H16F2N2O
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Name4-(2,4-difluorophenyl)-8-(2,6-dimethylphenyl)-7-oxido-1,7-naphthyridin-7-ium
SMILESCc1cccc(C)c1-c1c2nccc(-c3ccc(F)cc3F)c2cc[n+]1[O-]
InChIInChI=1S/C22H16F2N2O/c1-13-4-3-5-14(2)20(13)22-21-18(9-11-26(22)27)16(8-10-25-21)17-7-6-15(23)12-19(17)24/h3-12H,1-2H3
InChIKeyOYTNRUXGIFGYKR-UHFFFAOYSA-N
XLogP5.10
TPSA39.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.38
LogP ≤ 55.10
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-(2,6-dimethylphenyl)-7-oxido-1,7-naphthyridin-7-ium?
The IUPAC name of 4-(2,4-difluorophenyl)-8-(2,6-dimethylphenyl)-7-oxido-1,7-naphthyridin-7-ium (CID 24899731) is 4-(2,4-difluorophenyl)-8-(2,6-dimethylphenyl)-7-oxido-1,7-naphthyridin-7-ium.
What is the SMILES notation for 4-(2,4-difluorophenyl)-8-(2,6-dimethylphenyl)-7-oxido-1,7-naphthyridin-7-ium?
The canonical SMILES for 4-(2,4-difluorophenyl)-8-(2,6-dimethylphenyl)-7-oxido-1,7-naphthyridin-7-ium is Cc1cccc(C)c1-c1c2nccc(-c3ccc(F)cc3F)c2cc[n+]1[O-].
What is the InChIKey of 4-(2,4-difluorophenyl)-8-(2,6-dimethylphenyl)-7-oxido-1,7-naphthyridin-7-ium?
The InChIKey is OYTNRUXGIFGYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O/c1-13-4-3-5-14(2)20(13)22-21-18(9-11-26(22)27)16(8-10-25-21)17-7-6-15(23)12-19(17)24/h3-12H,1-2H3.
What are the key properties of 4-(2,4-difluorophenyl)-8-(2,6-dimethylphenyl)-7-oxido-1,7-naphthyridin-7-ium?
4-(2,4-difluorophenyl)-8-(2,6-dimethylphenyl)-7-oxido-1,7-naphthyridin-7-ium has a molecular weight of 362.38 g/mol, XLogP of 5.10, 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-(2,6-dimethylphenyl)-7-oxido-1,7-naphthyridin-7-ium is sourced from PubChem (CID 24899731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).