potassium quinolin-8-yl sulfate

C9H6KNO4S — CID 23672298

IUPACpotassium quinolin-8-yl sulfate
SMILESO=S(=O)([O-])Oc1cccc2cccnc12.[K+]
InChIInChI=1S/C9H7NO4S.K/c11-15(12,13)14-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6H,(H,11,12,13);/q;+1/p-1
InChIKeyDWBSXHMYTSZXQL-UHFFFAOYSA-M
MW263.31 g/mol
LogP-1.92
Rot. Bonds2

About potassium quinolin-8-yl sulfate

potassium quinolin-8-yl sulfate (PubChem CID 23672298) has the molecular formula C9H6KNO4S and a molecular weight of 263.31 g/mol. Its IUPAC name is potassium quinolin-8-yl sulfate.

Molecular Properties

Compound Namepotassium quinolin-8-yl sulfate
PubChem CID23672298
Molecular FormulaC9H6KNO4S
Molecular Weight263.31 g/mol
Exact Mass262.97
IUPAC Namepotassium quinolin-8-yl sulfate
SMILESO=S(=O)([O-])Oc1cccc2cccnc12.[K+]
InChIInChI=1S/C9H7NO4S.K/c11-15(12,13)14-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6H,(H,11,12,13);/q;+1/p-1
InChIKeyDWBSXHMYTSZXQL-UHFFFAOYSA-M
XLogP-1.92
TPSA79.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-1.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze potassium quinolin-8-yl sulfate 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 potassium quinolin-8-yl sulfate?
The IUPAC name of potassium quinolin-8-yl sulfate (CID 23672298) is potassium quinolin-8-yl sulfate.
What is the SMILES notation for potassium quinolin-8-yl sulfate?
The canonical SMILES for potassium quinolin-8-yl sulfate is O=S(=O)([O-])Oc1cccc2cccnc12.[K+].
What is the InChIKey of potassium quinolin-8-yl sulfate?
The InChIKey is DWBSXHMYTSZXQL-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H7NO4S.K/c11-15(12,13)14-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6H,(H,11,12,13);/q;+1/p-1.
What are the key properties of potassium quinolin-8-yl sulfate?
potassium quinolin-8-yl sulfate has a molecular weight of 263.31 g/mol, XLogP of -1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium quinolin-8-yl sulfate is sourced from PubChem (CID 23672298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).