9-amino-6-hydroxyquinolizin-4-one

C9H8N2O2 — CID 115014638

IUPAC9-amino-6-hydroxyquinolizin-4-one
SMILESNc1ccc(O)n2c(=O)cccc12
InChIInChI=1S/C9H8N2O2/c10-6-4-5-9(13)11-7(6)2-1-3-8(11)12/h1-5,13H,10H2
InChIKeyMIJMCMWSSHKEEQ-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.59
Rot. Bonds

About 9-amino-6-hydroxyquinolizin-4-one

9-amino-6-hydroxyquinolizin-4-one (PubChem CID 115014638) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is 9-amino-6-hydroxyquinolizin-4-one.

Molecular Properties

Compound Name9-amino-6-hydroxyquinolizin-4-one
PubChem CID115014638
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name9-amino-6-hydroxyquinolizin-4-one
SMILESNc1ccc(O)n2c(=O)cccc12
InChIInChI=1S/C9H8N2O2/c10-6-4-5-9(13)11-7(6)2-1-3-8(11)12/h1-5,13H,10H2
InChIKeyMIJMCMWSSHKEEQ-UHFFFAOYSA-N
XLogP0.59
TPSA67.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-amino-6-hydroxyquinolizin-4-one?
The IUPAC name of 9-amino-6-hydroxyquinolizin-4-one (CID 115014638) is 9-amino-6-hydroxyquinolizin-4-one.
What is the SMILES notation for 9-amino-6-hydroxyquinolizin-4-one?
The canonical SMILES for 9-amino-6-hydroxyquinolizin-4-one is Nc1ccc(O)n2c(=O)cccc12.
What is the InChIKey of 9-amino-6-hydroxyquinolizin-4-one?
The InChIKey is MIJMCMWSSHKEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c10-6-4-5-9(13)11-7(6)2-1-3-8(11)12/h1-5,13H,10H2.
What are the key properties of 9-amino-6-hydroxyquinolizin-4-one?
9-amino-6-hydroxyquinolizin-4-one has a molecular weight of 176.18 g/mol, XLogP of 0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-6-hydroxyquinolizin-4-one is sourced from PubChem (CID 115014638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).