6,7-dimethoxy-1-(2-trimethylsilylethoxymethyl)quinazoline-2,4-dione

C16H24N2O5Si — CID 18753664

IUPAC6,7-dimethoxy-1-(2-trimethylsilylethoxymethyl)quinazoline-2,4-dione
SMILESCOc1cc2c(=O)[nH]c(=O)n(COCC[Si](C)(C)C)c2cc1OC
InChIInChI=1S/C16H24N2O5Si/c1-21-13-8-11-12(9-14(13)22-2)18(16(20)17-15(11)19)10-23-6-7-24(3,4)5/h8-9H,6-7,10H2,1-5H3,(H,17,19,20)
InChIKeyJPFFLMYJDHOQJT-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.02
Rot. Bonds7

About 6,7-dimethoxy-1-(2-trimethylsilylethoxymethyl)quinazoline-2,4-dione

6,7-dimethoxy-1-(2-trimethylsilylethoxymethyl)quinazoline-2,4-dione (PubChem CID 18753664) has the molecular formula C16H24N2O5Si and a molecular weight of 352.46 g/mol. Its IUPAC name is 6,7-dimethoxy-1-(2-trimethylsilylethoxymethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name6,7-dimethoxy-1-(2-trimethylsilylethoxymethyl)quinazoline-2,4-dione
PubChem CID18753664
Molecular FormulaC16H24N2O5Si
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name6,7-dimethoxy-1-(2-trimethylsilylethoxymethyl)quinazoline-2,4-dione
SMILESCOc1cc2c(=O)[nH]c(=O)n(COCC[Si](C)(C)C)c2cc1OC
InChIInChI=1S/C16H24N2O5Si/c1-21-13-8-11-12(9-14(13)22-2)18(16(20)17-15(11)19)10-23-6-7-24(3,4)5/h8-9H,6-7,10H2,1-5H3,(H,17,19,20)
InChIKeyJPFFLMYJDHOQJT-UHFFFAOYSA-N
XLogP2.02
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-(2-trimethylsilylethoxymethyl)quinazoline-2,4-dione?
The IUPAC name of 6,7-dimethoxy-1-(2-trimethylsilylethoxymethyl)quinazoline-2,4-dione (CID 18753664) is 6,7-dimethoxy-1-(2-trimethylsilylethoxymethyl)quinazoline-2,4-dione.
What is the SMILES notation for 6,7-dimethoxy-1-(2-trimethylsilylethoxymethyl)quinazoline-2,4-dione?
The canonical SMILES for 6,7-dimethoxy-1-(2-trimethylsilylethoxymethyl)quinazoline-2,4-dione is COc1cc2c(=O)[nH]c(=O)n(COCC[Si](C)(C)C)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-1-(2-trimethylsilylethoxymethyl)quinazoline-2,4-dione?
The InChIKey is JPFFLMYJDHOQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5Si/c1-21-13-8-11-12(9-14(13)22-2)18(16(20)17-15(11)19)10-23-6-7-24(3,4)5/h8-9H,6-7,10H2,1-5H3,(H,17,19,20).
What are the key properties of 6,7-dimethoxy-1-(2-trimethylsilylethoxymethyl)quinazoline-2,4-dione?
6,7-dimethoxy-1-(2-trimethylsilylethoxymethyl)quinazoline-2,4-dione has a molecular weight of 352.46 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-(2-trimethylsilylethoxymethyl)quinazoline-2,4-dione is sourced from PubChem (CID 18753664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).