2,5-dimethyl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one

C16H24N2O2Si — CID 70196598

IUPAC2,5-dimethyl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
SMILESCc1cccc2nc(C)n(COCC[Si](C)(C)C)c(=O)c12
InChIInChI=1S/C16H24N2O2Si/c1-12-7-6-8-14-15(12)16(19)18(13(2)17-14)11-20-9-10-21(3,4)5/h6-8H,9-11H2,1-5H3
InChIKeyLXYNJJWOBVRSPL-UHFFFAOYSA-N
MW304.47 g/mol
LogP3.33
Rot. Bonds5

About 2,5-dimethyl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one

2,5-dimethyl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one (PubChem CID 70196598) has the molecular formula C16H24N2O2Si and a molecular weight of 304.47 g/mol. Its IUPAC name is 2,5-dimethyl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one.

Molecular Properties

Compound Name2,5-dimethyl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
PubChem CID70196598
Molecular FormulaC16H24N2O2Si
Molecular Weight304.47 g/mol
Exact Mass304.16
IUPAC Name2,5-dimethyl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
SMILESCc1cccc2nc(C)n(COCC[Si](C)(C)C)c(=O)c12
InChIInChI=1S/C16H24N2O2Si/c1-12-7-6-8-14-15(12)16(19)18(13(2)17-14)11-20-9-10-21(3,4)5/h6-8H,9-11H2,1-5H3
InChIKeyLXYNJJWOBVRSPL-UHFFFAOYSA-N
XLogP3.33
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2,5-dimethyl-3-(2-trimethylsilylethoxymethyl)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 2,5-dimethyl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The IUPAC name of 2,5-dimethyl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one (CID 70196598) is 2,5-dimethyl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one.
What is the SMILES notation for 2,5-dimethyl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The canonical SMILES for 2,5-dimethyl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one is Cc1cccc2nc(C)n(COCC[Si](C)(C)C)c(=O)c12.
What is the InChIKey of 2,5-dimethyl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The InChIKey is LXYNJJWOBVRSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2Si/c1-12-7-6-8-14-15(12)16(19)18(13(2)17-14)11-20-9-10-21(3,4)5/h6-8H,9-11H2,1-5H3.
What are the key properties of 2,5-dimethyl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
2,5-dimethyl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one has a molecular weight of 304.47 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one is sourced from PubChem (CID 70196598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).