phenyl-[3-(2-trimethylsilylethynyl)quinoxalin-2-yl]methanone

C20H18N2OSi — CID 154723609

IUPACphenyl-[3-(2-trimethylsilylethynyl)quinoxalin-2-yl]methanone
SMILESC[Si](C)(C)C#Cc1nc2ccccc2nc1C(=O)c1ccccc1
InChIInChI=1S/C20H18N2OSi/c1-24(2,3)14-13-18-19(20(23)15-9-5-4-6-10-15)22-17-12-8-7-11-16(17)21-18/h4-12H,1-3H3
InChIKeyYXLQUTQTHWZUEZ-UHFFFAOYSA-N
MW330.46 g/mol
LogP4.09
Rot. Bonds2

About phenyl-[3-(2-trimethylsilylethynyl)quinoxalin-2-yl]methanone

phenyl-[3-(2-trimethylsilylethynyl)quinoxalin-2-yl]methanone (PubChem CID 154723609) has the molecular formula C20H18N2OSi and a molecular weight of 330.46 g/mol. Its IUPAC name is phenyl-[3-(2-trimethylsilylethynyl)quinoxalin-2-yl]methanone.

Molecular Properties

Compound Namephenyl-[3-(2-trimethylsilylethynyl)quinoxalin-2-yl]methanone
PubChem CID154723609
Molecular FormulaC20H18N2OSi
Molecular Weight330.46 g/mol
Exact Mass330.12
IUPAC Namephenyl-[3-(2-trimethylsilylethynyl)quinoxalin-2-yl]methanone
SMILESC[Si](C)(C)C#Cc1nc2ccccc2nc1C(=O)c1ccccc1
InChIInChI=1S/C20H18N2OSi/c1-24(2,3)14-13-18-19(20(23)15-9-5-4-6-10-15)22-17-12-8-7-11-16(17)21-18/h4-12H,1-3H3
InChIKeyYXLQUTQTHWZUEZ-UHFFFAOYSA-N
XLogP4.09
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl-[3-(2-trimethylsilylethynyl)quinoxalin-2-yl]methanone?
The IUPAC name of phenyl-[3-(2-trimethylsilylethynyl)quinoxalin-2-yl]methanone (CID 154723609) is phenyl-[3-(2-trimethylsilylethynyl)quinoxalin-2-yl]methanone.
What is the SMILES notation for phenyl-[3-(2-trimethylsilylethynyl)quinoxalin-2-yl]methanone?
The canonical SMILES for phenyl-[3-(2-trimethylsilylethynyl)quinoxalin-2-yl]methanone is C[Si](C)(C)C#Cc1nc2ccccc2nc1C(=O)c1ccccc1.
What is the InChIKey of phenyl-[3-(2-trimethylsilylethynyl)quinoxalin-2-yl]methanone?
The InChIKey is YXLQUTQTHWZUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OSi/c1-24(2,3)14-13-18-19(20(23)15-9-5-4-6-10-15)22-17-12-8-7-11-16(17)21-18/h4-12H,1-3H3.
What are the key properties of phenyl-[3-(2-trimethylsilylethynyl)quinoxalin-2-yl]methanone?
phenyl-[3-(2-trimethylsilylethynyl)quinoxalin-2-yl]methanone has a molecular weight of 330.46 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-(2-trimethylsilylethynyl)quinoxalin-2-yl]methanone is sourced from PubChem (CID 154723609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).