6-hydroxy-3H-quinazolin-4-one

C8H6N2O2 — CID 135489577

IUPAC6-hydroxy-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2ccc(O)cc12
InChIInChI=1S/C8H6N2O2/c11-5-1-2-7-6(3-5)8(12)10-4-9-7/h1-4,11H,(H,9,10,12)
InChIKeyQJRNXXLTDWMENM-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.63
Rot. Bonds

About 6-hydroxy-3H-quinazolin-4-one

6-hydroxy-3H-quinazolin-4-one (PubChem CID 135489577) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 6-hydroxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-hydroxy-3H-quinazolin-4-one
PubChem CID135489577
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name6-hydroxy-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2ccc(O)cc12
InChIInChI=1S/C8H6N2O2/c11-5-1-2-7-6(3-5)8(12)10-4-9-7/h1-4,11H,(H,9,10,12)
InChIKeyQJRNXXLTDWMENM-UHFFFAOYSA-N
XLogP0.63
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-hydroxy-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3H-quinazolin-4-one?
The IUPAC name of 6-hydroxy-3H-quinazolin-4-one (CID 135489577) is 6-hydroxy-3H-quinazolin-4-one.
What is the SMILES notation for 6-hydroxy-3H-quinazolin-4-one?
The canonical SMILES for 6-hydroxy-3H-quinazolin-4-one is O=c1[nH]cnc2ccc(O)cc12.
What is the InChIKey of 6-hydroxy-3H-quinazolin-4-one?
The InChIKey is QJRNXXLTDWMENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-5-1-2-7-6(3-5)8(12)10-4-9-7/h1-4,11H,(H,9,10,12).
What are the key properties of 6-hydroxy-3H-quinazolin-4-one?
6-hydroxy-3H-quinazolin-4-one has a molecular weight of 162.15 g/mol, XLogP of 0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3H-quinazolin-4-one is sourced from PubChem (CID 135489577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).