3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one

C16H24N2O3Si — CID 146823099

IUPAC3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one
SMILESC[Si](C)(C)CCOCn1nc(CCO)c(=O)c2ccccc21
InChIInChI=1S/C16H24N2O3Si/c1-22(2,3)11-10-21-12-18-15-7-5-4-6-13(15)16(20)14(17-18)8-9-19/h4-7,19H,8-12H2,1-3H3
InChIKeySCKQOHRWVFZROB-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.24
Rot. Bonds7

About 3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one

3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one (PubChem CID 146823099) has the molecular formula C16H24N2O3Si and a molecular weight of 320.46 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one
PubChem CID146823099
Molecular FormulaC16H24N2O3Si
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one
SMILESC[Si](C)(C)CCOCn1nc(CCO)c(=O)c2ccccc21
InChIInChI=1S/C16H24N2O3Si/c1-22(2,3)11-10-21-12-18-15-7-5-4-6-13(15)16(20)14(17-18)8-9-19/h4-7,19H,8-12H2,1-3H3
InChIKeySCKQOHRWVFZROB-UHFFFAOYSA-N
XLogP2.24
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-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 3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one (CID 146823099) is 3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one is C[Si](C)(C)CCOCn1nc(CCO)c(=O)c2ccccc21.
What is the InChIKey of 3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one?
The InChIKey is SCKQOHRWVFZROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3Si/c1-22(2,3)11-10-21-12-18-15-7-5-4-6-13(15)16(20)14(17-18)8-9-19/h4-7,19H,8-12H2,1-3H3.
What are the key properties of 3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one?
3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one has a molecular weight of 320.46 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one is sourced from PubChem (CID 146823099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).