dipotassium;quinolin-8-ol;sulfate

C9H7K2NO5S — CID 24820574

IUPACdipotassium;quinolin-8-ol;sulfate
SMILESO=S(=O)([O-])[O-].Oc1cccc2cccnc12.[K+].[K+]
InChIInChI=1S/C9H7NO.2K.H2O4S/c11-8-5-1-3-7-4-2-6-10-9(7)8;;;1-5(2,3)4/h1-6,11H;;;(H2,1,2,3,4)/q;2*+1;/p-2
InChIKeyYNCMTKURLYZSQT-UHFFFAOYSA-L
MW319.42 g/mol
LogP-5.39
Rot. Bonds

About dipotassium;quinolin-8-ol;sulfate

dipotassium;quinolin-8-ol;sulfate (PubChem CID 24820574) has the molecular formula C9H7K2NO5S and a molecular weight of 319.42 g/mol. Its IUPAC name is dipotassium;quinolin-8-ol;sulfate.

Molecular Properties

Compound Namedipotassium;quinolin-8-ol;sulfate
PubChem CID24820574
Molecular FormulaC9H7K2NO5S
Molecular Weight319.42 g/mol
Exact Mass318.93
IUPAC Namedipotassium;quinolin-8-ol;sulfate
SMILESO=S(=O)([O-])[O-].Oc1cccc2cccnc12.[K+].[K+]
InChIInChI=1S/C9H7NO.2K.H2O4S/c11-8-5-1-3-7-4-2-6-10-9(7)8;;;1-5(2,3)4/h1-6,11H;;;(H2,1,2,3,4)/q;2*+1;/p-2
InChIKeyYNCMTKURLYZSQT-UHFFFAOYSA-L
XLogP-5.39
TPSA113.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 5-5.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

dipotassium;quinolin-8-ol;carbonate
CID 174968438
CID 54604144
CID 54604144
quinolin-8-ol;yttrium
CID 174635627
oxozinc;quinolin-8-ol
CID 174943156
CID 70016201
CID 70016201
zinc quinolin-8-ol
CID 22057723
CID 87330016
CID 87330016
CID 6381061
CID 6381061
tetrapotassium;bis(quinolin-8-olate);sulfate
CID 170905215
CID 174914731
CID 174914731
methanol;quinolin-8-ol
CID 161490698
copper;quinolin-8-ol;diacetate
CID 161290532

Frequently Asked Questions

What is the IUPAC name of dipotassium;quinolin-8-ol;sulfate?
The IUPAC name of dipotassium;quinolin-8-ol;sulfate (CID 24820574) is dipotassium;quinolin-8-ol;sulfate.
What is the SMILES notation for dipotassium;quinolin-8-ol;sulfate?
The canonical SMILES for dipotassium;quinolin-8-ol;sulfate is O=S(=O)([O-])[O-].Oc1cccc2cccnc12.[K+].[K+].
What is the InChIKey of dipotassium;quinolin-8-ol;sulfate?
The InChIKey is YNCMTKURLYZSQT-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H7NO.2K.H2O4S/c11-8-5-1-3-7-4-2-6-10-9(7)8;;;1-5(2,3)4/h1-6,11H;;;(H2,1,2,3,4)/q;2*+1;/p-2.
What are the key properties of dipotassium;quinolin-8-ol;sulfate?
dipotassium;quinolin-8-ol;sulfate has a molecular weight of 319.42 g/mol, XLogP of -5.39, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;quinolin-8-ol;sulfate is sourced from PubChem (CID 24820574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).