8-ethoxyquinoline-5-sulfonic acid

C11H11NO4S — CID 23674

💊View drug profile → actinoquinol
IUPAC8-ethoxyquinoline-5-sulfonic acid
SMILESCCOc1ccc(S(=O)(=O)O)c2cccnc12
InChIInChI=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)
InChIKeyYAMVZYRZAMBCED-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.88
Rot. Bonds3

About 8-ethoxyquinoline-5-sulfonic acid

8-ethoxyquinoline-5-sulfonic acid (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 Name8-ethoxyquinoline-5-sulfonic acid
PubChem CID23674
Molecular FormulaC11H11NO4S
Molecular Weight253.28 g/mol
Exact Mass253.04
IUPAC Name8-ethoxyquinoline-5-sulfonic acid
SMILESCCOc1ccc(S(=O)(=O)O)c2cccnc12
InChIInChI=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)
InChIKeyYAMVZYRZAMBCED-UHFFFAOYSA-N
XLogP1.88
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-ethoxyquinoline-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

Related Compounds

Ferron
CID 11043
8-Hydroxyquinoline-5-sulfonic acid
CID 6792
8-Hydroxy-5-quinolinesulfonic acid monohydrate
CID 2723649
8-Methoxyquinoline
CID 70310
8-Ethoxyquinoline
CID 73781
N-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide
CID 1267630
N,N-dibutyl-8-methoxyquinoline-5-sulfonamide
CID 613863
N-butyl-8-methoxyquinoline-5-sulfonamide
CID 626312
Chiniofon
CID 23673836
4-(Quinolinoxy)-3-pyridinesulfonamide
CID 45028568
4-(2-Methyl-8-quinolinoxy)-3-pyridinesulfonamide
CID 46703923
8-ethoxy-N-(4-fluorobenzyl)quinoline-5-sulfonamide
CID 3241189

Frequently Asked Questions

What is the IUPAC name of 8-ethoxyquinoline-5-sulfonic acid?
The IUPAC name of 8-ethoxyquinoline-5-sulfonic acid (CID 23674) is 8-ethoxyquinoline-5-sulfonic acid.
What is the SMILES notation for 8-ethoxyquinoline-5-sulfonic acid?
The canonical SMILES for 8-ethoxyquinoline-5-sulfonic acid is CCOc1ccc(S(=O)(=O)O)c2cccnc12.
What is the InChIKey of 8-ethoxyquinoline-5-sulfonic acid?
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 8-ethoxyquinoline-5-sulfonic acid?
8-ethoxyquinoline-5-sulfonic acid 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 8-ethoxyquinoline-5-sulfonic acid is sourced from PubChem (CID 23674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).