bis(quinolin-8-ol);sulfuric acid

C18H16N2O6S — CID 517000

IUPACbis(quinolin-8-ol);sulfuric acid
SMILESO=S(=O)(O)O.Oc1cccc2cccnc12.Oc1cccc2cccnc12
InChIInChI=1S/2C9H7NO.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)
InChIKeyYYVFXSYQSOZCOQ-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.23
Rot. Bonds

About bis(quinolin-8-ol);sulfuric acid

bis(quinolin-8-ol);sulfuric acid (PubChem CID 517000) has the molecular formula C18H16N2O6S and a molecular weight of 388.40 g/mol. Its IUPAC name is bis(quinolin-8-ol);sulfuric acid.

Molecular Properties

Compound Namebis(quinolin-8-ol);sulfuric acid
PubChem CID517000
Molecular FormulaC18H16N2O6S
Molecular Weight388.40 g/mol
Exact Mass388.07
IUPAC Namebis(quinolin-8-ol);sulfuric acid
SMILESO=S(=O)(O)O.Oc1cccc2cccnc12.Oc1cccc2cccnc12
InChIInChI=1S/2C9H7NO.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)
InChIKeyYYVFXSYQSOZCOQ-UHFFFAOYSA-N
XLogP3.23
TPSA140.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(quinolin-8-ol);sulfuric acid?
The IUPAC name of bis(quinolin-8-ol);sulfuric acid (CID 517000) is bis(quinolin-8-ol);sulfuric acid.
What is the SMILES notation for bis(quinolin-8-ol);sulfuric acid?
The canonical SMILES for bis(quinolin-8-ol);sulfuric acid is O=S(=O)(O)O.Oc1cccc2cccnc12.Oc1cccc2cccnc12.
What is the InChIKey of bis(quinolin-8-ol);sulfuric acid?
The InChIKey is YYVFXSYQSOZCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7NO.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).
What are the key properties of bis(quinolin-8-ol);sulfuric acid?
bis(quinolin-8-ol);sulfuric acid has a molecular weight of 388.40 g/mol, XLogP of 3.23, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(quinolin-8-ol);sulfuric acid is sourced from PubChem (CID 517000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).