tetrapotassium;bis(quinolin-8-olate);sulfate

C18H12K4N2O6S — CID 170905215

IUPACtetrapotassium;bis(quinolin-8-olate);sulfate
SMILESO=S(=O)([O-])[O-].[K+].[K+].[K+].[K+].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
InChIInChI=1S/2C9H7NO.4K.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;;;;;1-5(2,3)4/h2*1-6,11H;;;;;(H2,1,2,3,4)/q;;4*+1;/p-4
InChIKeySOWUTKPALYKOPK-UHFFFAOYSA-J
MW540.76 g/mol
LogP-10.71
Rot. Bonds

About tetrapotassium;bis(quinolin-8-olate);sulfate

tetrapotassium;bis(quinolin-8-olate);sulfate (PubChem CID 170905215) has the molecular formula C18H12K4N2O6S and a molecular weight of 540.76 g/mol. Its IUPAC name is tetrapotassium;bis(quinolin-8-olate);sulfate.

Molecular Properties

Compound Nametetrapotassium;bis(quinolin-8-olate);sulfate
PubChem CID170905215
Molecular FormulaC18H12K4N2O6S
Molecular Weight540.76 g/mol
Exact Mass539.90
IUPAC Nametetrapotassium;bis(quinolin-8-olate);sulfate
SMILESO=S(=O)([O-])[O-].[K+].[K+].[K+].[K+].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
InChIInChI=1S/2C9H7NO.4K.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;;;;;1-5(2,3)4/h2*1-6,11H;;;;;(H2,1,2,3,4)/q;;4*+1;/p-4
InChIKeySOWUTKPALYKOPK-UHFFFAOYSA-J
XLogP-10.71
TPSA152.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.76
LogP ≤ 5-10.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

potassium;quinolin-8-olate;sulfuric acid
CID 170843806
zinc bis(quinolin-8-olate)
CID 162394451
iron(2+);bis(quinolin-8-olate)
CID 14497034
palladium(2+);bis(quinolin-8-olate)
CID 15139981
tris(quinolin-8-olate);zirconium-89(3+)
CID 155884448
dipotassium;quinolin-8-ol;sulfate
CID 24820574
oxygen(2-);1,10-phenanthroline;vanadium(4+);sulfate
CID 11595345
dicalcium;chloroform;tetrakis(erbium(3+));hexadecakis(quinolin-8-olate)
CID 139170865
magnesium;chloroform;bis(dysprosium(3+));octakis(quinolin-8-olate)
CID 139170863
hafnium(4+);tetrakis(quinolin-8-olate);toluene
CID 139077805
tricopper;bis(2-oxidobenzoate);bis(quinolin-8-olate)
CID 69050117
benzo[h]quinolin-10-olate
CID 101433150

Frequently Asked Questions

What is the IUPAC name of tetrapotassium;bis(quinolin-8-olate);sulfate?
The IUPAC name of tetrapotassium;bis(quinolin-8-olate);sulfate (CID 170905215) is tetrapotassium;bis(quinolin-8-olate);sulfate.
What is the SMILES notation for tetrapotassium;bis(quinolin-8-olate);sulfate?
The canonical SMILES for tetrapotassium;bis(quinolin-8-olate);sulfate is O=S(=O)([O-])[O-].[K+].[K+].[K+].[K+].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.
What is the InChIKey of tetrapotassium;bis(quinolin-8-olate);sulfate?
The InChIKey is SOWUTKPALYKOPK-UHFFFAOYSA-J. The full InChI is InChI=1S/2C9H7NO.4K.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;;;;;1-5(2,3)4/h2*1-6,11H;;;;;(H2,1,2,3,4)/q;;4*+1;/p-4.
What are the key properties of tetrapotassium;bis(quinolin-8-olate);sulfate?
tetrapotassium;bis(quinolin-8-olate);sulfate has a molecular weight of 540.76 g/mol, XLogP of -10.71, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapotassium;bis(quinolin-8-olate);sulfate is sourced from PubChem (CID 170905215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).