[6-methoxy-4-oxo-3-(2-trimethylsilylethoxymethyl)quinazolin-2-yl]methyl acetate

C18H26N2O5Si — CID 156870463

IUPAC[6-methoxy-4-oxo-3-(2-trimethylsilylethoxymethyl)quinazolin-2-yl]methyl acetate
SMILESCOc1ccc2nc(COC(C)=O)n(COCC[Si](C)(C)C)c(=O)c2c1
InChIInChI=1S/C18H26N2O5Si/c1-13(21)25-11-17-19-16-7-6-14(23-2)10-15(16)18(22)20(17)12-24-8-9-26(3,4)5/h6-7,10H,8-9,11-12H2,1-5H3
InChIKeyGUOHKVUPZXTMCY-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.78
Rot. Bonds8

About [6-methoxy-4-oxo-3-(2-trimethylsilylethoxymethyl)quinazolin-2-yl]methyl acetate

[6-methoxy-4-oxo-3-(2-trimethylsilylethoxymethyl)quinazolin-2-yl]methyl acetate (PubChem CID 156870463) has the molecular formula C18H26N2O5Si and a molecular weight of 378.50 g/mol. Its IUPAC name is [6-methoxy-4-oxo-3-(2-trimethylsilylethoxymethyl)quinazolin-2-yl]methyl acetate.

Molecular Properties

Compound Name[6-methoxy-4-oxo-3-(2-trimethylsilylethoxymethyl)quinazolin-2-yl]methyl acetate
PubChem CID156870463
Molecular FormulaC18H26N2O5Si
Molecular Weight378.50 g/mol
Exact Mass378.16
IUPAC Name[6-methoxy-4-oxo-3-(2-trimethylsilylethoxymethyl)quinazolin-2-yl]methyl acetate
SMILESCOc1ccc2nc(COC(C)=O)n(COCC[Si](C)(C)C)c(=O)c2c1
InChIInChI=1S/C18H26N2O5Si/c1-13(21)25-11-17-19-16-7-6-14(23-2)10-15(16)18(22)20(17)12-24-8-9-26(3,4)5/h6-7,10H,8-9,11-12H2,1-5H3
InChIKeyGUOHKVUPZXTMCY-UHFFFAOYSA-N
XLogP2.78
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

(6-methoxy-4-oxo-3H-quinazolin-2-yl)methyl acetate
CID 156870481
1-[5-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-one
CID 22477777
[5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]methyl acetate
CID 24740953
6-methoxy-2-methyl-3-(phenylsulfanylmethyl)quinazolin-4-one
CID 21004566
3-(2-aminopropyl)-2-chloro-6-methoxyquinazolin-4-one
CID 117264100
6-methoxy-3-phenyl-2-propylquinazolin-4-one
CID 154639055
2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 156800676
ethyl 2-(acetyloxymethyl)-3-(4-methoxyphenyl)-5,7-dimethyl-4-oxoquinazoline-6-carboxylate
CID 11453004
2-hydrazinyl-7-nitro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 156800678
8-chloro-7-iodo-1,3-bis(2-trimethylsilylethoxymethyl)imidazo[4,5-b]quinolin-2-one
CID 171842684
4-amino-6-methoxyquinazoline-2-carboxylic acid
CID 105473523
5-bromo-4-methoxy-1-(2-trimethylsilylethoxymethyl)indole-2-carboxylic acid
CID 90181086

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-4-oxo-3-(2-trimethylsilylethoxymethyl)quinazolin-2-yl]methyl acetate?
The IUPAC name of [6-methoxy-4-oxo-3-(2-trimethylsilylethoxymethyl)quinazolin-2-yl]methyl acetate (CID 156870463) is [6-methoxy-4-oxo-3-(2-trimethylsilylethoxymethyl)quinazolin-2-yl]methyl acetate.
What is the SMILES notation for [6-methoxy-4-oxo-3-(2-trimethylsilylethoxymethyl)quinazolin-2-yl]methyl acetate?
The canonical SMILES for [6-methoxy-4-oxo-3-(2-trimethylsilylethoxymethyl)quinazolin-2-yl]methyl acetate is COc1ccc2nc(COC(C)=O)n(COCC[Si](C)(C)C)c(=O)c2c1.
What is the InChIKey of [6-methoxy-4-oxo-3-(2-trimethylsilylethoxymethyl)quinazolin-2-yl]methyl acetate?
The InChIKey is GUOHKVUPZXTMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5Si/c1-13(21)25-11-17-19-16-7-6-14(23-2)10-15(16)18(22)20(17)12-24-8-9-26(3,4)5/h6-7,10H,8-9,11-12H2,1-5H3.
What are the key properties of [6-methoxy-4-oxo-3-(2-trimethylsilylethoxymethyl)quinazolin-2-yl]methyl acetate?
[6-methoxy-4-oxo-3-(2-trimethylsilylethoxymethyl)quinazolin-2-yl]methyl acetate has a molecular weight of 378.50 g/mol, XLogP of 2.78, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-4-oxo-3-(2-trimethylsilylethoxymethyl)quinazolin-2-yl]methyl acetate is sourced from PubChem (CID 156870463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).