2-methoxy-3,6-dimethyl-7-(trifluoromethyl)quinoxaline

C12H11F3N2O — CID 59874455

IUPAC2-methoxy-3,6-dimethyl-7-(trifluoromethyl)quinoxaline
SMILESCOc1nc2cc(C(F)(F)F)c(C)cc2nc1C
InChIInChI=1S/C12H11F3N2O/c1-6-4-9-10(5-8(6)12(13,14)15)17-11(18-3)7(2)16-9/h4-5H,1-3H3
InChIKeyDNLPLUCZFPJTBJ-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.27
Rot. Bonds1

About 2-methoxy-3,6-dimethyl-7-(trifluoromethyl)quinoxaline

2-methoxy-3,6-dimethyl-7-(trifluoromethyl)quinoxaline (PubChem CID 59874455) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 2-methoxy-3,6-dimethyl-7-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name2-methoxy-3,6-dimethyl-7-(trifluoromethyl)quinoxaline
PubChem CID59874455
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name2-methoxy-3,6-dimethyl-7-(trifluoromethyl)quinoxaline
SMILESCOc1nc2cc(C(F)(F)F)c(C)cc2nc1C
InChIInChI=1S/C12H11F3N2O/c1-6-4-9-10(5-8(6)12(13,14)15)17-11(18-3)7(2)16-9/h4-5H,1-3H3
InChIKeyDNLPLUCZFPJTBJ-UHFFFAOYSA-N
XLogP3.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-3,6-dimethyl-7-(trifluoromethyl)quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,6-dimethyl-7-(trifluoromethyl)quinoxaline?
The IUPAC name of 2-methoxy-3,6-dimethyl-7-(trifluoromethyl)quinoxaline (CID 59874455) is 2-methoxy-3,6-dimethyl-7-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 2-methoxy-3,6-dimethyl-7-(trifluoromethyl)quinoxaline?
The canonical SMILES for 2-methoxy-3,6-dimethyl-7-(trifluoromethyl)quinoxaline is COc1nc2cc(C(F)(F)F)c(C)cc2nc1C.
What is the InChIKey of 2-methoxy-3,6-dimethyl-7-(trifluoromethyl)quinoxaline?
The InChIKey is DNLPLUCZFPJTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-6-4-9-10(5-8(6)12(13,14)15)17-11(18-3)7(2)16-9/h4-5H,1-3H3.
What are the key properties of 2-methoxy-3,6-dimethyl-7-(trifluoromethyl)quinoxaline?
2-methoxy-3,6-dimethyl-7-(trifluoromethyl)quinoxaline has a molecular weight of 256.23 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,6-dimethyl-7-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 59874455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).