2-[5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde

C17H24N2O3Si — CID 160612863

IUPAC2-[5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde
SMILESCc1cccc2c1c(=O)c(CC=O)nn2COCC[Si](C)(C)C
InChIInChI=1S/C17H24N2O3Si/c1-13-6-5-7-15-16(13)17(21)14(8-9-20)18-19(15)12-22-10-11-23(2,3)4/h5-7,9H,8,10-12H2,1-4H3
InChIKeyRFSANXUJXYEWAN-UHFFFAOYSA-N
MW332.48 g/mol
LogP2.76
Rot. Bonds7

About 2-[5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde

2-[5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde (PubChem CID 160612863) has the molecular formula C17H24N2O3Si and a molecular weight of 332.48 g/mol. Its IUPAC name is 2-[5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde
PubChem CID160612863
Molecular FormulaC17H24N2O3Si
Molecular Weight332.48 g/mol
Exact Mass332.16
IUPAC Name2-[5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde
SMILESCc1cccc2c1c(=O)c(CC=O)nn2COCC[Si](C)(C)C
InChIInChI=1S/C17H24N2O3Si/c1-13-6-5-7-15-16(13)17(21)14(8-9-20)18-19(15)12-22-10-11-23(2,3)4/h5-7,9H,8,10-12H2,1-4H3
InChIKeyRFSANXUJXYEWAN-UHFFFAOYSA-N
XLogP2.76
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 52.76
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

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]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-(2-Hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one
CID 146823099
2-[4-Oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetic acid
CID 146836711
Methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetate
CID 147400698
3-(2-Hydroxyethyl)-5-methyl-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one
CID 147402719
Methyl 2-[5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetate
CID 148276497
2-[4-Oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde
CID 148908571
Methyl 2-methyl-2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]propanoate
CID 149783665
Methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]propanoate
CID 151883037

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde?
The IUPAC name of 2-[5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde (CID 160612863) is 2-[5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde.
What is the SMILES notation for 2-[5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde?
The canonical SMILES for 2-[5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde is Cc1cccc2c1c(=O)c(CC=O)nn2COCC[Si](C)(C)C.
What is the InChIKey of 2-[5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde?
The InChIKey is RFSANXUJXYEWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3Si/c1-13-6-5-7-15-16(13)17(21)14(8-9-20)18-19(15)12-22-10-11-23(2,3)4/h5-7,9H,8,10-12H2,1-4H3.
What are the key properties of 2-[5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde?
2-[5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde has a molecular weight of 332.48 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde is sourced from PubChem (CID 160612863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).