6-(2-benzylphenyl)-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one

C33H44N2O4Si2 — CID 90257759

IUPAC6-(2-benzylphenyl)-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
SMILESC[Si](C)(C)CCOCOc1cc(-c2ccccc2Cc2ccccc2)cc2c(=O)n(COCC[Si](C)(C)C)cnc12
InChIInChI=1S/C33H44N2O4Si2/c1-40(2,3)18-16-37-24-35-23-34-32-30(33(35)36)21-28(22-31(32)39-25-38-17-19-41(4,5)6)29-15-11-10-14-27(29)20-26-12-8-7-9-13-26/h7-15,21-23H,16-20,24-25H2,1-6H3
InChIKeyHOVQBYKAAAJXPS-UHFFFAOYSA-N
MW588.90 g/mol
LogP7.66
Rot. Bonds14

About 6-(2-benzylphenyl)-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one

6-(2-benzylphenyl)-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one (PubChem CID 90257759) has the molecular formula C33H44N2O4Si2 and a molecular weight of 588.90 g/mol. Its IUPAC name is 6-(2-benzylphenyl)-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-(2-benzylphenyl)-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
PubChem CID90257759
Molecular FormulaC33H44N2O4Si2
Molecular Weight588.90 g/mol
Exact Mass588.28
IUPAC Name6-(2-benzylphenyl)-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
SMILESC[Si](C)(C)CCOCOc1cc(-c2ccccc2Cc2ccccc2)cc2c(=O)n(COCC[Si](C)(C)C)cnc12
InChIInChI=1S/C33H44N2O4Si2/c1-40(2,3)18-16-37-24-35-23-34-32-30(33(35)36)21-28(22-31(32)39-25-38-17-19-41(4,5)6)29-15-11-10-14-27(29)20-26-12-8-7-9-13-26/h7-15,21-23H,16-20,24-25H2,1-6H3
InChIKeyHOVQBYKAAAJXPS-UHFFFAOYSA-N
XLogP7.66
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.90
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-benzylphenyl)-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The IUPAC name of 6-(2-benzylphenyl)-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one (CID 90257759) is 6-(2-benzylphenyl)-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one.
What is the SMILES notation for 6-(2-benzylphenyl)-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The canonical SMILES for 6-(2-benzylphenyl)-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one is C[Si](C)(C)CCOCOc1cc(-c2ccccc2Cc2ccccc2)cc2c(=O)n(COCC[Si](C)(C)C)cnc12.
What is the InChIKey of 6-(2-benzylphenyl)-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The InChIKey is HOVQBYKAAAJXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N2O4Si2/c1-40(2,3)18-16-37-24-35-23-34-32-30(33(35)36)21-28(22-31(32)39-25-38-17-19-41(4,5)6)29-15-11-10-14-27(29)20-26-12-8-7-9-13-26/h7-15,21-23H,16-20,24-25H2,1-6H3.
What are the key properties of 6-(2-benzylphenyl)-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
6-(2-benzylphenyl)-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one has a molecular weight of 588.90 g/mol, XLogP of 7.66, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-benzylphenyl)-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one is sourced from PubChem (CID 90257759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).