1-oxido-8-(1-oxidoquinolin-1-ium-8-yl)quinolin-1-ium

C18H12N2O2 — CID 122391363

IUPAC1-oxido-8-(1-oxidoquinolin-1-ium-8-yl)quinolin-1-ium
SMILES[O-][n+]1cccc2cccc(-c3cccc4ccc[n+]([O-])c34)c21
InChIInChI=1S/C18H12N2O2/c21-19-11-3-7-13-5-1-9-15(17(13)19)16-10-2-6-14-8-4-12-20(22)18(14)16/h1-12H
InChIKeyVPBMACYMVBMHJE-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.93
Rot. Bonds1

About 1-oxido-8-(1-oxidoquinolin-1-ium-8-yl)quinolin-1-ium

1-oxido-8-(1-oxidoquinolin-1-ium-8-yl)quinolin-1-ium (PubChem CID 122391363) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-oxido-8-(1-oxidoquinolin-1-ium-8-yl)quinolin-1-ium.

Molecular Properties

Compound Name1-oxido-8-(1-oxidoquinolin-1-ium-8-yl)quinolin-1-ium
PubChem CID122391363
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name1-oxido-8-(1-oxidoquinolin-1-ium-8-yl)quinolin-1-ium
SMILES[O-][n+]1cccc2cccc(-c3cccc4ccc[n+]([O-])c34)c21
InChIInChI=1S/C18H12N2O2/c21-19-11-3-7-13-5-1-9-15(17(13)19)16-10-2-6-14-8-4-12-20(22)18(14)16/h1-12H
InChIKeyVPBMACYMVBMHJE-UHFFFAOYSA-N
XLogP2.93
TPSA53.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.93
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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Related Compounds

1-oxido-8-[4-(trifluoromethyl)phenyl]quinolin-1-ium
CID 134847018
ethane;8-methyl-1-oxidoquinolin-1-ium
CID 91532902
6-bromo-1-(1-oxidoquinolin-1-ium-8-yl)naphthalen-2-ol
CID 177395737
1,8-dioxido-1,8-naphthyridine-1,8-diium
CID 59944235
1-oxidopyrido[3,2-c][1,8]naphthyridin-1-ium
CID 70387417
5-fluoro-1-oxidoquinolin-1-ium
CID 66982928
5-bromo-1-oxidoquinolin-1-ium
CID 59398322
6-iodo-1-oxidoquinolin-1-ium
CID 68765523
4-methyl-10-oxidoacridin-10-ium;10-methyl-1-oxidobenzo[g]quinolin-1-ium
CID 158356041
2-(7-methyl-1-oxidoquinolin-1-ium-8-yl)-3,4-diphenylisoquinolin-1-one
CID 164511227
CID 175282704
CID 175282704
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096

Frequently Asked Questions

What is the IUPAC name of 1-oxido-8-(1-oxidoquinolin-1-ium-8-yl)quinolin-1-ium?
The IUPAC name of 1-oxido-8-(1-oxidoquinolin-1-ium-8-yl)quinolin-1-ium (CID 122391363) is 1-oxido-8-(1-oxidoquinolin-1-ium-8-yl)quinolin-1-ium.
What is the SMILES notation for 1-oxido-8-(1-oxidoquinolin-1-ium-8-yl)quinolin-1-ium?
The canonical SMILES for 1-oxido-8-(1-oxidoquinolin-1-ium-8-yl)quinolin-1-ium is [O-][n+]1cccc2cccc(-c3cccc4ccc[n+]([O-])c34)c21.
What is the InChIKey of 1-oxido-8-(1-oxidoquinolin-1-ium-8-yl)quinolin-1-ium?
The InChIKey is VPBMACYMVBMHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-19-11-3-7-13-5-1-9-15(17(13)19)16-10-2-6-14-8-4-12-20(22)18(14)16/h1-12H.
What are the key properties of 1-oxido-8-(1-oxidoquinolin-1-ium-8-yl)quinolin-1-ium?
1-oxido-8-(1-oxidoquinolin-1-ium-8-yl)quinolin-1-ium has a molecular weight of 288.31 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-8-(1-oxidoquinolin-1-ium-8-yl)quinolin-1-ium is sourced from PubChem (CID 122391363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).