quinolin-8-ol;sulfuric acid

C9H9NO5S — CID 11507008

IUPACquinolin-8-ol;sulfuric acid
SMILESO=S(=O)(O)O.Oc1cccc2cccnc12
InChIInChI=1S/C9H7NO.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)
InChIKeyMRUMAIRJPMUAPZ-UHFFFAOYSA-N
MW243.24 g/mol
LogP1.29
Rot. Bonds

About quinolin-8-ol;sulfuric acid

quinolin-8-ol;sulfuric acid (PubChem CID 11507008) has the molecular formula C9H9NO5S and a molecular weight of 243.24 g/mol. Its IUPAC name is quinolin-8-ol;sulfuric acid.

Molecular Properties

Compound Namequinolin-8-ol;sulfuric acid
PubChem CID11507008
Molecular FormulaC9H9NO5S
Molecular Weight243.24 g/mol
Exact Mass243.02
IUPAC Namequinolin-8-ol;sulfuric acid
SMILESO=S(=O)(O)O.Oc1cccc2cccnc12
InChIInChI=1S/C9H7NO.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)
InChIKeyMRUMAIRJPMUAPZ-UHFFFAOYSA-N
XLogP1.29
TPSA107.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 quinolin-8-ol;sulfuric acid?
The IUPAC name of quinolin-8-ol;sulfuric acid (CID 11507008) is quinolin-8-ol;sulfuric acid.
What is the SMILES notation for quinolin-8-ol;sulfuric acid?
The canonical SMILES for quinolin-8-ol;sulfuric acid is O=S(=O)(O)O.Oc1cccc2cccnc12.
What is the InChIKey of quinolin-8-ol;sulfuric acid?
The InChIKey is MRUMAIRJPMUAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.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).
What are the key properties of quinolin-8-ol;sulfuric acid?
quinolin-8-ol;sulfuric acid has a molecular weight of 243.24 g/mol, XLogP of 1.29, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-ol;sulfuric acid is sourced from PubChem (CID 11507008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).