2-methyl-3-(2,4,6-trimethylphenoxy)quinoxaline

C18H18N2O — CID 163248709

IUPAC2-methyl-3-(2,4,6-trimethylphenoxy)quinoxaline
SMILESCc1cc(C)c(Oc2nc3ccccc3nc2C)c(C)c1
InChIInChI=1S/C18H18N2O/c1-11-9-12(2)17(13(3)10-11)21-18-14(4)19-15-7-5-6-8-16(15)20-18/h5-10H,1-4H3
InChIKeySKKQWTDPZQAWLX-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.66
Rot. Bonds2

About 2-methyl-3-(2,4,6-trimethylphenoxy)quinoxaline

2-methyl-3-(2,4,6-trimethylphenoxy)quinoxaline (PubChem CID 163248709) has the molecular formula C18H18N2O and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methyl-3-(2,4,6-trimethylphenoxy)quinoxaline.

Molecular Properties

Compound Name2-methyl-3-(2,4,6-trimethylphenoxy)quinoxaline
PubChem CID163248709
Molecular FormulaC18H18N2O
Molecular Weight278.35 g/mol
Exact Mass278.14
IUPAC Name2-methyl-3-(2,4,6-trimethylphenoxy)quinoxaline
SMILESCc1cc(C)c(Oc2nc3ccccc3nc2C)c(C)c1
InChIInChI=1S/C18H18N2O/c1-11-9-12(2)17(13(3)10-11)21-18-14(4)19-15-7-5-6-8-16(15)20-18/h5-10H,1-4H3
InChIKeySKKQWTDPZQAWLX-UHFFFAOYSA-N
XLogP4.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,4,6-trimethylphenoxy)quinoxaline?
The IUPAC name of 2-methyl-3-(2,4,6-trimethylphenoxy)quinoxaline (CID 163248709) is 2-methyl-3-(2,4,6-trimethylphenoxy)quinoxaline.
What is the SMILES notation for 2-methyl-3-(2,4,6-trimethylphenoxy)quinoxaline?
The canonical SMILES for 2-methyl-3-(2,4,6-trimethylphenoxy)quinoxaline is Cc1cc(C)c(Oc2nc3ccccc3nc2C)c(C)c1.
What is the InChIKey of 2-methyl-3-(2,4,6-trimethylphenoxy)quinoxaline?
The InChIKey is SKKQWTDPZQAWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-11-9-12(2)17(13(3)10-11)21-18-14(4)19-15-7-5-6-8-16(15)20-18/h5-10H,1-4H3.
What are the key properties of 2-methyl-3-(2,4,6-trimethylphenoxy)quinoxaline?
2-methyl-3-(2,4,6-trimethylphenoxy)quinoxaline has a molecular weight of 278.35 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,4,6-trimethylphenoxy)quinoxaline is sourced from PubChem (CID 163248709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).