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'}

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Related Compounds

2,5-dimethyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11667985
trimethyl-[2-[[2-methyl-5-[7-[2-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-1,1-dioxo-1,2,7-thiadiazepan-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane
CID 59539148
2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 153396856
trimethyl-[2-[(2-morpholin-4-ylbenzimidazol-1-yl)methoxy]ethyl]silane
CID 156708125
2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 156800676
methyl 5-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 153484145
N-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyaniline
CID 154287838
2-[(2,5-diphenylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 102185967
4-(bromomethyl)-1-ethyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-2-one
CID 68503428
2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 157374933
hydroxy-dimethyl-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]silane
CID 24807131
trimethyl-[2-phenyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]silane
CID 14924368

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).