5-methoxy-3H-quinazolin-4-one

C9H8N2O2 — CID 135510669

IUPAC5-methoxy-3H-quinazolin-4-one
SMILESCOc1cccc2nc[nH]c(=O)c12
InChIInChI=1S/C9H8N2O2/c1-13-7-4-2-3-6-8(7)9(12)11-5-10-6/h2-5H,1H3,(H,10,11,12)
InChIKeySJIQXQRHUFZWTH-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.93
Rot. Bonds1

About 5-methoxy-3H-quinazolin-4-one

5-methoxy-3H-quinazolin-4-one (PubChem CID 135510669) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is 5-methoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name5-methoxy-3H-quinazolin-4-one
PubChem CID135510669
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name5-methoxy-3H-quinazolin-4-one
SMILESCOc1cccc2nc[nH]c(=O)c12
InChIInChI=1S/C9H8N2O2/c1-13-7-4-2-3-6-8(7)9(12)11-5-10-6/h2-5H,1H3,(H,10,11,12)
InChIKeySJIQXQRHUFZWTH-UHFFFAOYSA-N
XLogP0.93
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-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 5-methoxy-3H-quinazolin-4-one?
The IUPAC name of 5-methoxy-3H-quinazolin-4-one (CID 135510669) is 5-methoxy-3H-quinazolin-4-one.
What is the SMILES notation for 5-methoxy-3H-quinazolin-4-one?
The canonical SMILES for 5-methoxy-3H-quinazolin-4-one is COc1cccc2nc[nH]c(=O)c12.
What is the InChIKey of 5-methoxy-3H-quinazolin-4-one?
The InChIKey is SJIQXQRHUFZWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-13-7-4-2-3-6-8(7)9(12)11-5-10-6/h2-5H,1H3,(H,10,11,12).
What are the key properties of 5-methoxy-3H-quinazolin-4-one?
5-methoxy-3H-quinazolin-4-one has a molecular weight of 176.18 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3H-quinazolin-4-one is sourced from PubChem (CID 135510669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).