1H-quinoxalin-4-ium-2-one iodide

C8H7IN2O — CID 134852767

IUPAC1H-quinoxalin-4-ium-2-one iodide
SMILESO=c1c[nH+]c2ccccc2[nH]1.[I-]
InChIInChI=1S/C8H6N2O.HI/c11-8-5-9-6-3-1-2-4-7(6)10-8;/h1-5H,(H,10,11);1H
InChIKeyQPLUMKVXLWINCQ-UHFFFAOYSA-N
MW274.06 g/mol
LogP-2.65
Rot. Bonds

About 1H-quinoxalin-4-ium-2-one iodide

1H-quinoxalin-4-ium-2-one iodide (PubChem CID 134852767) has the molecular formula C8H7IN2O and a molecular weight of 274.06 g/mol. Its IUPAC name is 1H-quinoxalin-4-ium-2-one iodide.

Molecular Properties

Compound Name1H-quinoxalin-4-ium-2-one iodide
PubChem CID134852767
Molecular FormulaC8H7IN2O
Molecular Weight274.06 g/mol
Exact Mass273.96
IUPAC Name1H-quinoxalin-4-ium-2-one iodide
SMILESO=c1c[nH+]c2ccccc2[nH]1.[I-]
InChIInChI=1S/C8H6N2O.HI/c11-8-5-9-6-3-1-2-4-7(6)10-8;/h1-5H,(H,10,11);1H
InChIKeyQPLUMKVXLWINCQ-UHFFFAOYSA-N
XLogP-2.65
TPSA47.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 5-2.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-quinoxalin-4-ium-2-one iodide?
The IUPAC name of 1H-quinoxalin-4-ium-2-one iodide (CID 134852767) is 1H-quinoxalin-4-ium-2-one iodide.
What is the SMILES notation for 1H-quinoxalin-4-ium-2-one iodide?
The canonical SMILES for 1H-quinoxalin-4-ium-2-one iodide is O=c1c[nH+]c2ccccc2[nH]1.[I-].
What is the InChIKey of 1H-quinoxalin-4-ium-2-one iodide?
The InChIKey is QPLUMKVXLWINCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O.HI/c11-8-5-9-6-3-1-2-4-7(6)10-8;/h1-5H,(H,10,11);1H.
What are the key properties of 1H-quinoxalin-4-ium-2-one iodide?
1H-quinoxalin-4-ium-2-one iodide has a molecular weight of 274.06 g/mol, XLogP of -2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-quinoxalin-4-ium-2-one iodide is sourced from PubChem (CID 134852767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).