2-tert-butyl-6-(3-methylbutan-2-yl)quinoxaline

C17H24N2 — CID 134415139

IUPAC2-tert-butyl-6-(3-methylbutan-2-yl)quinoxaline
SMILESCC(C)C(C)c1ccc2nc(C(C)(C)C)cnc2c1
InChIInChI=1S/C17H24N2/c1-11(2)12(3)13-7-8-14-15(9-13)18-10-16(19-14)17(4,5)6/h7-12H,1-6H3
InChIKeyVXCCGRAFPSXNQM-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.69
Rot. Bonds2

About 2-tert-butyl-6-(3-methylbutan-2-yl)quinoxaline

2-tert-butyl-6-(3-methylbutan-2-yl)quinoxaline (PubChem CID 134415139) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-tert-butyl-6-(3-methylbutan-2-yl)quinoxaline.

Molecular Properties

Compound Name2-tert-butyl-6-(3-methylbutan-2-yl)quinoxaline
PubChem CID134415139
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-tert-butyl-6-(3-methylbutan-2-yl)quinoxaline
SMILESCC(C)C(C)c1ccc2nc(C(C)(C)C)cnc2c1
InChIInChI=1S/C17H24N2/c1-11(2)12(3)13-7-8-14-15(9-13)18-10-16(19-14)17(4,5)6/h7-12H,1-6H3
InChIKeyVXCCGRAFPSXNQM-UHFFFAOYSA-N
XLogP4.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-6-(3-methylbutan-2-yl)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-tert-butyl-6-(3-methylbutan-2-yl)quinoxaline?
The IUPAC name of 2-tert-butyl-6-(3-methylbutan-2-yl)quinoxaline (CID 134415139) is 2-tert-butyl-6-(3-methylbutan-2-yl)quinoxaline.
What is the SMILES notation for 2-tert-butyl-6-(3-methylbutan-2-yl)quinoxaline?
The canonical SMILES for 2-tert-butyl-6-(3-methylbutan-2-yl)quinoxaline is CC(C)C(C)c1ccc2nc(C(C)(C)C)cnc2c1.
What is the InChIKey of 2-tert-butyl-6-(3-methylbutan-2-yl)quinoxaline?
The InChIKey is VXCCGRAFPSXNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-11(2)12(3)13-7-8-14-15(9-13)18-10-16(19-14)17(4,5)6/h7-12H,1-6H3.
What are the key properties of 2-tert-butyl-6-(3-methylbutan-2-yl)quinoxaline?
2-tert-butyl-6-(3-methylbutan-2-yl)quinoxaline has a molecular weight of 256.39 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(3-methylbutan-2-yl)quinoxaline is sourced from PubChem (CID 134415139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).