2-(phenoxymethyl)-3-phenylmethoxy-6-(trifluoromethyl)quinoxaline

C23H17F3N2O2 — CID 91551551

IUPAC2-(phenoxymethyl)-3-phenylmethoxy-6-(trifluoromethyl)quinoxaline
SMILESFC(F)(F)c1ccc2nc(COc3ccccc3)c(OCc3ccccc3)nc2c1
InChIInChI=1S/C23H17F3N2O2/c24-23(25,26)17-11-12-19-20(13-17)28-22(30-14-16-7-3-1-4-8-16)21(27-19)15-29-18-9-5-2-6-10-18/h1-13H,14-15H2
InChIKeyCBRDAQTUENVKIV-UHFFFAOYSA-N
MW410.40 g/mol
LogP5.81
Rot. Bonds6

About 2-(phenoxymethyl)-3-phenylmethoxy-6-(trifluoromethyl)quinoxaline

2-(phenoxymethyl)-3-phenylmethoxy-6-(trifluoromethyl)quinoxaline (PubChem CID 91551551) has the molecular formula C23H17F3N2O2 and a molecular weight of 410.40 g/mol. Its IUPAC name is 2-(phenoxymethyl)-3-phenylmethoxy-6-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name2-(phenoxymethyl)-3-phenylmethoxy-6-(trifluoromethyl)quinoxaline
PubChem CID91551551
Molecular FormulaC23H17F3N2O2
Molecular Weight410.40 g/mol
Exact Mass410.12
IUPAC Name2-(phenoxymethyl)-3-phenylmethoxy-6-(trifluoromethyl)quinoxaline
SMILESFC(F)(F)c1ccc2nc(COc3ccccc3)c(OCc3ccccc3)nc2c1
InChIInChI=1S/C23H17F3N2O2/c24-23(25,26)17-11-12-19-20(13-17)28-22(30-14-16-7-3-1-4-8-16)21(27-19)15-29-18-9-5-2-6-10-18/h1-13H,14-15H2
InChIKeyCBRDAQTUENVKIV-UHFFFAOYSA-N
XLogP5.81
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(phenoxymethyl)-3-phenylmethoxy-6-(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-(phenoxymethyl)-3-phenylmethoxy-6-(trifluoromethyl)quinoxaline?
The IUPAC name of 2-(phenoxymethyl)-3-phenylmethoxy-6-(trifluoromethyl)quinoxaline (CID 91551551) is 2-(phenoxymethyl)-3-phenylmethoxy-6-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 2-(phenoxymethyl)-3-phenylmethoxy-6-(trifluoromethyl)quinoxaline?
The canonical SMILES for 2-(phenoxymethyl)-3-phenylmethoxy-6-(trifluoromethyl)quinoxaline is FC(F)(F)c1ccc2nc(COc3ccccc3)c(OCc3ccccc3)nc2c1.
What is the InChIKey of 2-(phenoxymethyl)-3-phenylmethoxy-6-(trifluoromethyl)quinoxaline?
The InChIKey is CBRDAQTUENVKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O2/c24-23(25,26)17-11-12-19-20(13-17)28-22(30-14-16-7-3-1-4-8-16)21(27-19)15-29-18-9-5-2-6-10-18/h1-13H,14-15H2.
What are the key properties of 2-(phenoxymethyl)-3-phenylmethoxy-6-(trifluoromethyl)quinoxaline?
2-(phenoxymethyl)-3-phenylmethoxy-6-(trifluoromethyl)quinoxaline has a molecular weight of 410.40 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-3-phenylmethoxy-6-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 91551551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).