2-hydroxyquinolizin-4-one

C9H7NO2 — CID 102058264

IUPAC2-hydroxyquinolizin-4-one
SMILESO=c1cc(O)cc2ccccn12
InChIInChI=1S/C9H7NO2/c11-8-5-7-3-1-2-4-10(7)9(12)6-8/h1-6,11H
InChIKeySXKFIVVFNYOUDQ-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.01
Rot. Bonds

About 2-hydroxyquinolizin-4-one

2-hydroxyquinolizin-4-one (PubChem CID 102058264) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-hydroxyquinolizin-4-one.

Molecular Properties

Compound Name2-hydroxyquinolizin-4-one
PubChem CID102058264
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name2-hydroxyquinolizin-4-one
SMILESO=c1cc(O)cc2ccccn12
InChIInChI=1S/C9H7NO2/c11-8-5-7-3-1-2-4-10(7)9(12)6-8/h1-6,11H
InChIKeySXKFIVVFNYOUDQ-UHFFFAOYSA-N
XLogP1.01
TPSA41.71 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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyquinolizin-4-one?
The IUPAC name of 2-hydroxyquinolizin-4-one (CID 102058264) is 2-hydroxyquinolizin-4-one.
What is the SMILES notation for 2-hydroxyquinolizin-4-one?
The canonical SMILES for 2-hydroxyquinolizin-4-one is O=c1cc(O)cc2ccccn12.
What is the InChIKey of 2-hydroxyquinolizin-4-one?
The InChIKey is SXKFIVVFNYOUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-8-5-7-3-1-2-4-10(7)9(12)6-8/h1-6,11H.
What are the key properties of 2-hydroxyquinolizin-4-one?
2-hydroxyquinolizin-4-one has a molecular weight of 161.16 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyquinolizin-4-one is sourced from PubChem (CID 102058264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).