1,8-dioxido-1,8-naphthyridine-1,8-diium

C8H6N2O2 — CID 59944235

IUPAC1,8-dioxido-1,8-naphthyridine-1,8-diium
SMILES[O-][n+]1cccc2ccc[n+]([O-])c21
InChIInChI=1S/C8H6N2O2/c11-9-5-1-3-7-4-2-6-10(12)8(7)9/h1-6H
InChIKeyQVJCCMYMUPVBTJ-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.11
Rot. Bonds

About 1,8-dioxido-1,8-naphthyridine-1,8-diium

1,8-dioxido-1,8-naphthyridine-1,8-diium (PubChem CID 59944235) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 1,8-dioxido-1,8-naphthyridine-1,8-diium.

Molecular Properties

Compound Name1,8-dioxido-1,8-naphthyridine-1,8-diium
PubChem CID59944235
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name1,8-dioxido-1,8-naphthyridine-1,8-diium
SMILES[O-][n+]1cccc2ccc[n+]([O-])c21
InChIInChI=1S/C8H6N2O2/c11-9-5-1-3-7-4-2-6-10(12)8(7)9/h1-6H
InChIKeyQVJCCMYMUPVBTJ-UHFFFAOYSA-N
XLogP0.11
TPSA53.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.11
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'}

Analyze 1,8-dioxido-1,8-naphthyridine-1,8-diium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,8-dioxido-1,8-naphthyridine-1,8-diium?
The IUPAC name of 1,8-dioxido-1,8-naphthyridine-1,8-diium (CID 59944235) is 1,8-dioxido-1,8-naphthyridine-1,8-diium.
What is the SMILES notation for 1,8-dioxido-1,8-naphthyridine-1,8-diium?
The canonical SMILES for 1,8-dioxido-1,8-naphthyridine-1,8-diium is [O-][n+]1cccc2ccc[n+]([O-])c21.
What is the InChIKey of 1,8-dioxido-1,8-naphthyridine-1,8-diium?
The InChIKey is QVJCCMYMUPVBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-9-5-1-3-7-4-2-6-10(12)8(7)9/h1-6H.
What are the key properties of 1,8-dioxido-1,8-naphthyridine-1,8-diium?
1,8-dioxido-1,8-naphthyridine-1,8-diium has a molecular weight of 162.15 g/mol, XLogP of 0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dioxido-1,8-naphthyridine-1,8-diium is sourced from PubChem (CID 59944235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).