5-amino-1,2,3,4-tetrahydroquinolin-8-ol;sulfuric acid

C9H14N2O5S — CID 121226427

IUPAC5-amino-1,2,3,4-tetrahydroquinolin-8-ol;sulfuric acid
SMILESNc1ccc(O)c2c1CCCN2.O=S(=O)(O)O
InChIInChI=1S/C9H12N2O.H2O4S/c10-7-3-4-8(12)9-6(7)2-1-5-11-9;1-5(2,3)4/h3-4,11-12H,1-2,5,10H2;(H2,1,2,3,4)
InChIKeyWFOKFJYRVQBCOJ-UHFFFAOYSA-N
MW262.29 g/mol
LogP0.68
Rot. Bonds

About 5-amino-1,2,3,4-tetrahydroquinolin-8-ol;sulfuric acid

5-amino-1,2,3,4-tetrahydroquinolin-8-ol;sulfuric acid (PubChem CID 121226427) has the molecular formula C9H14N2O5S and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-amino-1,2,3,4-tetrahydroquinolin-8-ol;sulfuric acid.

Molecular Properties

Compound Name5-amino-1,2,3,4-tetrahydroquinolin-8-ol;sulfuric acid
PubChem CID121226427
Molecular FormulaC9H14N2O5S
Molecular Weight262.29 g/mol
Exact Mass262.06
IUPAC Name5-amino-1,2,3,4-tetrahydroquinolin-8-ol;sulfuric acid
SMILESNc1ccc(O)c2c1CCCN2.O=S(=O)(O)O
InChIInChI=1S/C9H12N2O.H2O4S/c10-7-3-4-8(12)9-6(7)2-1-5-11-9;1-5(2,3)4/h3-4,11-12H,1-2,5,10H2;(H2,1,2,3,4)
InChIKeyWFOKFJYRVQBCOJ-UHFFFAOYSA-N
XLogP0.68
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 50.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,2,3,4-tetrahydroquinolin-8-ol;sulfuric acid?
The IUPAC name of 5-amino-1,2,3,4-tetrahydroquinolin-8-ol;sulfuric acid (CID 121226427) is 5-amino-1,2,3,4-tetrahydroquinolin-8-ol;sulfuric acid.
What is the SMILES notation for 5-amino-1,2,3,4-tetrahydroquinolin-8-ol;sulfuric acid?
The canonical SMILES for 5-amino-1,2,3,4-tetrahydroquinolin-8-ol;sulfuric acid is Nc1ccc(O)c2c1CCCN2.O=S(=O)(O)O.
What is the InChIKey of 5-amino-1,2,3,4-tetrahydroquinolin-8-ol;sulfuric acid?
The InChIKey is WFOKFJYRVQBCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.H2O4S/c10-7-3-4-8(12)9-6(7)2-1-5-11-9;1-5(2,3)4/h3-4,11-12H,1-2,5,10H2;(H2,1,2,3,4).
What are the key properties of 5-amino-1,2,3,4-tetrahydroquinolin-8-ol;sulfuric acid?
5-amino-1,2,3,4-tetrahydroquinolin-8-ol;sulfuric acid has a molecular weight of 262.29 g/mol, XLogP of 0.68, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,2,3,4-tetrahydroquinolin-8-ol;sulfuric acid is sourced from PubChem (CID 121226427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).