Actinoquinol

C₁₁H₁₁NO₄S — CID 23674

About Actinoquinol

Actinoquinol (PubChem CID 23674) has the molecular formula C₁₁H₁₁NO₄S and a molecular weight of 253.28 g/mol. Its IUPAC name is 8-ethoxyquinoline-5-sulfonic acid.

Molecular Properties

• Compound Name: Actinoquinol
• PubChem CID: 23674
• Molecular Formula: C₁₁H₁₁NO₄S
• Molecular Weight: 253.28 g/mol
• Exact Mass: 253.04
• IUPAC Name: 8-ethoxyquinoline-5-sulfonic acid
• SMILES: CCOc1ccc(S(=O)(=O)O)c2cccnc12
• InChI: InChI=1S/C11H11NO4S/c1-2-16-9-5-6-10(17(13,14)15)8-4-3-7-12-11(8)9/h3-7H,2H2,1H3,(H,13,14,15)
• InChIKey: YAMVZYRZAMBCED-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 76.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	253.28
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Actinoquinol?

The IUPAC name of Actinoquinol (CID 23674) is 8-ethoxyquinoline-5-sulfonic acid.

What is the SMILES notation for Actinoquinol?

The canonical SMILES for Actinoquinol is CCOc1ccc(S(=O)(=O)O)c2cccnc12.

What is the InChIKey of Actinoquinol?

The InChIKey is YAMVZYRZAMBCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S/c1-2-16-9-5-6-10(17(13,14)15)8-4-3-7-12-11(8)9/h3-7H,2H2,1H3,(H,13,14,15).

What are the key properties of Actinoquinol?

Actinoquinol has a molecular weight of 253.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Actinoquinol is sourced from PubChem (CID 23674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 23674 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3664 — approved-drug record (CC BY-SA 4.0)

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