1-hydroxyquinolin-7-one

C9H7NO2 — CID 54440200

IUPAC1-hydroxyquinolin-7-one
SMILESO=c1ccc2cccn(O)c-2c1
InChIInChI=1S/C9H7NO2/c11-8-4-3-7-2-1-5-10(12)9(7)6-8/h1-6,12H
InChIKeyOJKZCBAKPKCMFA-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.19
Rot. Bonds

About 1-hydroxyquinolin-7-one

1-hydroxyquinolin-7-one (PubChem CID 54440200) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 1-hydroxyquinolin-7-one.

Molecular Properties

Compound Name1-hydroxyquinolin-7-one
PubChem CID54440200
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name1-hydroxyquinolin-7-one
SMILESO=c1ccc2cccn(O)c-2c1
InChIInChI=1S/C9H7NO2/c11-8-4-3-7-2-1-5-10(12)9(7)6-8/h1-6,12H
InChIKeyOJKZCBAKPKCMFA-UHFFFAOYSA-N
XLogP1.19
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxyquinolin-7-one?
The IUPAC name of 1-hydroxyquinolin-7-one (CID 54440200) is 1-hydroxyquinolin-7-one.
What is the SMILES notation for 1-hydroxyquinolin-7-one?
The canonical SMILES for 1-hydroxyquinolin-7-one is O=c1ccc2cccn(O)c-2c1.
What is the InChIKey of 1-hydroxyquinolin-7-one?
The InChIKey is OJKZCBAKPKCMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-8-4-3-7-2-1-5-10(12)9(7)6-8/h1-6,12H.
What are the key properties of 1-hydroxyquinolin-7-one?
1-hydroxyquinolin-7-one has a molecular weight of 161.16 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyquinolin-7-one is sourced from PubChem (CID 54440200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).