2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde

C16H22N2O3Si — CID 148908571

IUPAC2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde
SMILESC[Si](C)(C)CCOCn1nc(CC=O)c(=O)c2ccccc21
InChIInChI=1S/C16H22N2O3Si/c1-22(2,3)11-10-21-12-18-15-7-5-4-6-13(15)16(20)14(17-18)8-9-19/h4-7,9H,8,10-12H2,1-3H3
InChIKeyPIEGYNBQPCHANU-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.45
Rot. Bonds7

About 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde

2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde (PubChem CID 148908571) has the molecular formula C16H22N2O3Si and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde
PubChem CID148908571
Molecular FormulaC16H22N2O3Si
Molecular Weight318.45 g/mol
Exact Mass318.14
IUPAC Name2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde
SMILESC[Si](C)(C)CCOCn1nc(CC=O)c(=O)c2ccccc21
InChIInChI=1S/C16H22N2O3Si/c1-22(2,3)11-10-21-12-18-15-7-5-4-6-13(15)16(20)14(17-18)8-9-19/h4-7,9H,8,10-12H2,1-3H3
InChIKeyPIEGYNBQPCHANU-UHFFFAOYSA-N
XLogP2.45
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Methylcinnolin-4(1H)-one
CID 12361197
1-(2-Trimethylsilylethoxymethyl)quinolin-4-one
CID 85711003
Methyl 2-[7-fluoro-4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetate
CID 148734299
2-[7-Fluoro-4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetic acid
CID 153170042
7-Fluoro-3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one
CID 157306987
2-[7-Fluoro-4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde
CID 161321462
2-[7-Fluoro-4-oxo-1-[2-(trimethyl-lambda4-sulfanyl)ethoxymethyl]cinnolin-3-yl]acetaldehyde
CID 166786482
2-[4-Oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetaldehyde
CID 163218978
3-(3,3-Dimethylbut-1-ynyl)-1-propylcinnolin-4-one
CID 25264806
1-Butyl-3-(3,3-dimethylbut-1-ynyl)cinnolin-4-one
CID 25264808
3-(3-Hydroxy-3-methylbut-1-ynyl)-1-pentylcinnolin-4-one
CID 25264954
3-(4-Oxo-1-pentylcinnolin-3-yl)benzaldehyde
CID 25264959

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde?
The IUPAC name of 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde (CID 148908571) is 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde.
What is the SMILES notation for 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde?
The canonical SMILES for 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde is C[Si](C)(C)CCOCn1nc(CC=O)c(=O)c2ccccc21.
What is the InChIKey of 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde?
The InChIKey is PIEGYNBQPCHANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3Si/c1-22(2,3)11-10-21-12-18-15-7-5-4-6-13(15)16(20)14(17-18)8-9-19/h4-7,9H,8,10-12H2,1-3H3.
What are the key properties of 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde?
2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde has a molecular weight of 318.45 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde is sourced from PubChem (CID 148908571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).