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

C16H22N2O4Si — CID 146836711

IUPAC2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetic acid
SMILESC[Si](C)(C)CCOCn1nc(CC(=O)O)c(=O)c2ccccc21
InChIInChI=1S/C16H22N2O4Si/c1-23(2,3)9-8-22-11-18-14-7-5-4-6-12(14)16(21)13(17-18)10-15(19)20/h4-7H,8-11H2,1-3H3,(H,19,20)
InChIKeySFGGNVFJRNOASB-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.34
Rot. Bonds7

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

2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetic acid (PubChem CID 146836711) has the molecular formula C16H22N2O4Si and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetic acid
PubChem CID146836711
Molecular FormulaC16H22N2O4Si
Molecular Weight334.45 g/mol
Exact Mass334.13
IUPAC Name2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetic acid
SMILESC[Si](C)(C)CCOCn1nc(CC(=O)O)c(=O)c2ccccc21
InChIInChI=1S/C16H22N2O4Si/c1-23(2,3)9-8-22-11-18-14-7-5-4-6-12(14)16(21)13(17-18)10-15(19)20/h4-7H,8-11H2,1-3H3,(H,19,20)
InChIKeySFGGNVFJRNOASB-UHFFFAOYSA-N
XLogP2.34
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.34
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetic acid?
The IUPAC name of 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetic acid (CID 146836711) is 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetic acid?
The canonical SMILES for 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetic acid is C[Si](C)(C)CCOCn1nc(CC(=O)O)c(=O)c2ccccc21.
What is the InChIKey of 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetic acid?
The InChIKey is SFGGNVFJRNOASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4Si/c1-23(2,3)9-8-22-11-18-14-7-5-4-6-12(14)16(21)13(17-18)10-15(19)20/h4-7H,8-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetic acid?
2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetic acid has a molecular weight of 334.45 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 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]acetic acid is sourced from PubChem (CID 146836711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).