5-methoxy-3-(2-oxopropyl)-1H-quinazoline-2,4-dione

C12H12N2O4 — CID 117262084

IUPAC5-methoxy-3-(2-oxopropyl)-1H-quinazoline-2,4-dione
SMILESCOc1cccc2[nH]c(=O)n(CC(C)=O)c(=O)c12
InChIInChI=1S/C12H12N2O4/c1-7(15)6-14-11(16)10-8(13-12(14)17)4-3-5-9(10)18-2/h3-5H,6H2,1-2H3,(H,13,17)
InChIKeyJSYNCBZXIWHLCO-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.29
Rot. Bonds3

About 5-methoxy-3-(2-oxopropyl)-1H-quinazoline-2,4-dione

5-methoxy-3-(2-oxopropyl)-1H-quinazoline-2,4-dione (PubChem CID 117262084) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 5-methoxy-3-(2-oxopropyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name5-methoxy-3-(2-oxopropyl)-1H-quinazoline-2,4-dione
PubChem CID117262084
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name5-methoxy-3-(2-oxopropyl)-1H-quinazoline-2,4-dione
SMILESCOc1cccc2[nH]c(=O)n(CC(C)=O)c(=O)c12
InChIInChI=1S/C12H12N2O4/c1-7(15)6-14-11(16)10-8(13-12(14)17)4-3-5-9(10)18-2/h3-5H,6H2,1-2H3,(H,13,17)
InChIKeyJSYNCBZXIWHLCO-UHFFFAOYSA-N
XLogP0.29
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-3-(2-oxopropyl)-1H-quinazoline-2,4-dione 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-3-(2-oxopropyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 5-methoxy-3-(2-oxopropyl)-1H-quinazoline-2,4-dione (CID 117262084) is 5-methoxy-3-(2-oxopropyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 5-methoxy-3-(2-oxopropyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 5-methoxy-3-(2-oxopropyl)-1H-quinazoline-2,4-dione is COc1cccc2[nH]c(=O)n(CC(C)=O)c(=O)c12.
What is the InChIKey of 5-methoxy-3-(2-oxopropyl)-1H-quinazoline-2,4-dione?
The InChIKey is JSYNCBZXIWHLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-7(15)6-14-11(16)10-8(13-12(14)17)4-3-5-9(10)18-2/h3-5H,6H2,1-2H3,(H,13,17).
What are the key properties of 5-methoxy-3-(2-oxopropyl)-1H-quinazoline-2,4-dione?
5-methoxy-3-(2-oxopropyl)-1H-quinazoline-2,4-dione has a molecular weight of 248.24 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(2-oxopropyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117262084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).