8-hydroxy-6-methylquinoline-5-sulfonic acid

C10H9NO4S — CID 21435774

IUPAC8-hydroxy-6-methylquinoline-5-sulfonic acid
SMILESCc1cc(O)c2ncccc2c1S(=O)(=O)O
InChIInChI=1S/C10H9NO4S/c1-6-5-8(12)9-7(3-2-4-11-9)10(6)16(13,14)15/h2-5,12H,1H3,(H,13,14,15)
InChIKeyXSZAFFNTZZCCAX-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.50
Rot. Bonds1

About 8-hydroxy-6-methylquinoline-5-sulfonic acid

8-hydroxy-6-methylquinoline-5-sulfonic acid (PubChem CID 21435774) has the molecular formula C10H9NO4S and a molecular weight of 239.25 g/mol. Its IUPAC name is 8-hydroxy-6-methylquinoline-5-sulfonic acid.

Molecular Properties

Compound Name8-hydroxy-6-methylquinoline-5-sulfonic acid
PubChem CID21435774
Molecular FormulaC10H9NO4S
Molecular Weight239.25 g/mol
Exact Mass239.03
IUPAC Name8-hydroxy-6-methylquinoline-5-sulfonic acid
SMILESCc1cc(O)c2ncccc2c1S(=O)(=O)O
InChIInChI=1S/C10H9NO4S/c1-6-5-8(12)9-7(3-2-4-11-9)10(6)16(13,14)15/h2-5,12H,1H3,(H,13,14,15)
InChIKeyXSZAFFNTZZCCAX-UHFFFAOYSA-N
XLogP1.50
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-hydroxy-6-methylquinoline-5-sulfonic acid 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 8-hydroxy-6-methylquinoline-5-sulfonic acid?
The IUPAC name of 8-hydroxy-6-methylquinoline-5-sulfonic acid (CID 21435774) is 8-hydroxy-6-methylquinoline-5-sulfonic acid.
What is the SMILES notation for 8-hydroxy-6-methylquinoline-5-sulfonic acid?
The canonical SMILES for 8-hydroxy-6-methylquinoline-5-sulfonic acid is Cc1cc(O)c2ncccc2c1S(=O)(=O)O.
What is the InChIKey of 8-hydroxy-6-methylquinoline-5-sulfonic acid?
The InChIKey is XSZAFFNTZZCCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S/c1-6-5-8(12)9-7(3-2-4-11-9)10(6)16(13,14)15/h2-5,12H,1H3,(H,13,14,15).
What are the key properties of 8-hydroxy-6-methylquinoline-5-sulfonic acid?
8-hydroxy-6-methylquinoline-5-sulfonic acid has a molecular weight of 239.25 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-6-methylquinoline-5-sulfonic acid is sourced from PubChem (CID 21435774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).