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

C21H14F2N2O2 — CID 24897876

IUPAC8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium
SMILESCOc1ccccc1-c1ccnc2c(-c3c(F)cccc3F)[n+]([O-])ccc12
InChIInChI=1S/C21H14F2N2O2/c1-27-18-8-3-2-5-14(18)13-9-11-24-20-15(13)10-12-25(26)21(20)19-16(22)6-4-7-17(19)23/h2-12H,1H3
InChIKeyKROWIURGYUBEKL-UHFFFAOYSA-N
MW364.35 g/mol
LogP4.49
Rot. Bonds3

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

8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium (PubChem CID 24897876) has the molecular formula C21H14F2N2O2 and a molecular weight of 364.35 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium.

Molecular Properties

Compound Name8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium
PubChem CID24897876
Molecular FormulaC21H14F2N2O2
Molecular Weight364.35 g/mol
Exact Mass364.10
IUPAC Name8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium
SMILESCOc1ccccc1-c1ccnc2c(-c3c(F)cccc3F)[n+]([O-])ccc12
InChIInChI=1S/C21H14F2N2O2/c1-27-18-8-3-2-5-14(18)13-9-11-24-20-15(13)10-12-25(26)21(20)19-16(22)6-4-7-17(19)23/h2-12H,1H3
InChIKeyKROWIURGYUBEKL-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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Related Compounds

7-Methoxy-3-pyridin-4-yl-quinoline
CID 11776270
2-(4-Ethoxyphenyl)quinoxaline
CID 765189
3-Methoxy-5-(1,5-naphthyridin-3-yl)benzonitrile
CID 44434733
6-[3-Fluoro-5-(4-methoxy-tetrahydro-pyran-4-yl)-phenoxymethyl]-quinoxaline
CID 14985869
4-(2,4-Difluorophenyl)-8-(2,6-dimethoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium
CID 24896765
4-(2,4-Difluorophenyl)-8-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium
CID 24899735
6-Fluoro-3-(4-methoxyphenyl)isoquinoline
CID 25058375
7-(4-Methoxyphenyl)-1,6-naphthyridine
CID 44142283
3-(4-Methylpiperazin-1-yl)-5-(3-nitrobenzyloxy)-7-(trifluoromethyl)quinoline
CID 50997650
5-(3-Nitrobenzyloxy)-3-(4-methylpiperazin-1-yl)quinoline
CID 52937192
5-Methoxy-2-(2-pyridin-3-ylethynyl)quinoline
CID 71562957
7-Fluoro-3-(4-methoxyphenyl)isoquinoline
CID 25058384

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium?
The IUPAC name of 8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium (CID 24897876) is 8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium.
What is the SMILES notation for 8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium?
The canonical SMILES for 8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium is COc1ccccc1-c1ccnc2c(-c3c(F)cccc3F)[n+]([O-])ccc12.
What is the InChIKey of 8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium?
The InChIKey is KROWIURGYUBEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O2/c1-27-18-8-3-2-5-14(18)13-9-11-24-20-15(13)10-12-25(26)21(20)19-16(22)6-4-7-17(19)23/h2-12H,1H3.
What are the key properties of 8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium?
8-(2,6-difluorophenyl)-4-(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 8-(2,6-difluorophenyl)-4-(2-methoxyphenyl)-7-oxido-1,7-naphthyridin-7-ium is sourced from PubChem (CID 24897876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).