2-methoxy-4aH-quinazolin-4-one

C9H8N2O2 — CID 76845210

IUPAC2-methoxy-4aH-quinazolin-4-one
SMILESCOC1=NC(=O)C2C=CC=CC2=N1
InChIInChI=1S/C9H8N2O2/c1-13-9-10-7-5-3-2-4-6(7)8(12)11-9/h2-6H,1H3
InChIKeyHZLWDRWYWUXURZ-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.71
Rot. Bonds

About 2-methoxy-4aH-quinazolin-4-one

2-methoxy-4aH-quinazolin-4-one (PubChem CID 76845210) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-methoxy-4aH-quinazolin-4-one.

Molecular Properties

Compound Name2-methoxy-4aH-quinazolin-4-one
PubChem CID76845210
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name2-methoxy-4aH-quinazolin-4-one
SMILESCOC1=NC(=O)C2C=CC=CC2=N1
InChIInChI=1S/C9H8N2O2/c1-13-9-10-7-5-3-2-4-6(7)8(12)11-9/h2-6H,1H3
InChIKeyHZLWDRWYWUXURZ-UHFFFAOYSA-N
XLogP0.71
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-4aH-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

Related Compounds

7-Fluoroquinazolin-4(4aH)-one
CID 71304042
2-chloro-7-fluoro-4aH-quinazolin-4-one
CID 71302517
2-chloro-6-fluoro-4aH-quinazolin-4-one
CID 71650346
6-Fluoro-4(4aH)-quinazolinone
CID 71650446
7-fluoro-2-methyl-4aH-quinazolin-4-one
CID 75216199
5-fluoro-4aH-quinazolin-4-one
CID 77520033
6-fluoro-2-methyl-4aH-quinazolin-4-one
CID 91668361
4aH-quinazolin-4-one
CID 57015225
3-propyl-8aH-isoquinolin-1-one
CID 57240393
2-methyl-4aH-quinazolin-4-one
CID 57310190
2-amino-7-propan-2-yl-4aH-benzo[g]quinazolin-4-one
CID 58528111
ethyl 4-oxo-4aH-quinazoline-2-carboxylate
CID 71651985

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4aH-quinazolin-4-one?
The IUPAC name of 2-methoxy-4aH-quinazolin-4-one (CID 76845210) is 2-methoxy-4aH-quinazolin-4-one.
What is the SMILES notation for 2-methoxy-4aH-quinazolin-4-one?
The canonical SMILES for 2-methoxy-4aH-quinazolin-4-one is COC1=NC(=O)C2C=CC=CC2=N1.
What is the InChIKey of 2-methoxy-4aH-quinazolin-4-one?
The InChIKey is HZLWDRWYWUXURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-13-9-10-7-5-3-2-4-6(7)8(12)11-9/h2-6H,1H3.
What are the key properties of 2-methoxy-4aH-quinazolin-4-one?
2-methoxy-4aH-quinazolin-4-one has a molecular weight of 176.17 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4aH-quinazolin-4-one is sourced from PubChem (CID 76845210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).