7-hydroxyisoquinoline

Synonyms: "isoquinolin-7-ol", "7-hydroxyisoquinoline", "7-isoquinolinol", "7-hydroxy-isoquinoline".

Source: 7-hydroxyisoquinoline is used in the synthesis of quinine, which is a natural-occurring compound used to treat malaria.

Identifiers:

IUPAC Name: isoquinolin-7-ol
CAS Number: 7651-83-4
PubChem ID: 459767
InChiKey: WCRKBMABEPCYII-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC2=C1C=CN=C2)O

Structural Properties:

Molecular Formula: C₉H₇NO
Molecular Weight: 145.161

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 11

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Schultz TW and Sinks GD. 2002. Xenoestrogenic gene expression: structural features of active polycyclic aromatic hydrocarbons. Environ Toxicol Chem 21(4): 783-786. DOI: 10.1002/etc.5620210414. URL: http://onlinelibrary.wiley.com/doi/10.1002/etc.5620210414/abstract.