2-(2,4,6-trimethylphenyl)quinoxaline

C17H16N2 — CID 39830827

IUPAC2-(2,4,6-trimethylphenyl)quinoxaline
SMILESCc1cc(C)c(-c2cnc3ccccc3n2)c(C)c1
InChIInChI=1S/C17H16N2/c1-11-8-12(2)17(13(3)9-11)16-10-18-14-6-4-5-7-15(14)19-16/h4-10H,1-3H3
InChIKeyCQOJFGMYUDYYHJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.22
Rot. Bonds1

About 2-(2,4,6-trimethylphenyl)quinoxaline

2-(2,4,6-trimethylphenyl)quinoxaline (PubChem CID 39830827) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)quinoxaline.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)quinoxaline
PubChem CID39830827
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name2-(2,4,6-trimethylphenyl)quinoxaline
SMILESCc1cc(C)c(-c2cnc3ccccc3n2)c(C)c1
InChIInChI=1S/C17H16N2/c1-11-8-12(2)17(13(3)9-11)16-10-18-14-6-4-5-7-15(14)19-16/h4-10H,1-3H3
InChIKeyCQOJFGMYUDYYHJ-UHFFFAOYSA-N
XLogP4.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)quinoxaline?
The IUPAC name of 2-(2,4,6-trimethylphenyl)quinoxaline (CID 39830827) is 2-(2,4,6-trimethylphenyl)quinoxaline.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)quinoxaline?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)quinoxaline is Cc1cc(C)c(-c2cnc3ccccc3n2)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)quinoxaline?
The InChIKey is CQOJFGMYUDYYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-11-8-12(2)17(13(3)9-11)16-10-18-14-6-4-5-7-15(14)19-16/h4-10H,1-3H3.
What are the key properties of 2-(2,4,6-trimethylphenyl)quinoxaline?
2-(2,4,6-trimethylphenyl)quinoxaline has a molecular weight of 248.33 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)quinoxaline is sourced from PubChem (CID 39830827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).