2,5-ditert-butyl-3-methylquinoxaline

C17H24N2 — CID 134411080

IUPAC2,5-ditert-butyl-3-methylquinoxaline
SMILESCc1nc2c(C(C)(C)C)cccc2nc1C(C)(C)C
InChIInChI=1S/C17H24N2/c1-11-15(17(5,6)7)19-13-10-8-9-12(14(13)18-11)16(2,3)4/h8-10H,1-7H3
InChIKeyNKZXXJSPDLBNTD-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.53
Rot. Bonds

About 2,5-ditert-butyl-3-methylquinoxaline

2,5-ditert-butyl-3-methylquinoxaline (PubChem CID 134411080) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2,5-ditert-butyl-3-methylquinoxaline.

Molecular Properties

Compound Name2,5-ditert-butyl-3-methylquinoxaline
PubChem CID134411080
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2,5-ditert-butyl-3-methylquinoxaline
SMILESCc1nc2c(C(C)(C)C)cccc2nc1C(C)(C)C
InChIInChI=1S/C17H24N2/c1-11-15(17(5,6)7)19-13-10-8-9-12(14(13)18-11)16(2,3)4/h8-10H,1-7H3
InChIKeyNKZXXJSPDLBNTD-UHFFFAOYSA-N
XLogP4.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5-ditert-butyl-3-methylquinoxaline 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 2,5-ditert-butyl-3-methylquinoxaline?
The IUPAC name of 2,5-ditert-butyl-3-methylquinoxaline (CID 134411080) is 2,5-ditert-butyl-3-methylquinoxaline.
What is the SMILES notation for 2,5-ditert-butyl-3-methylquinoxaline?
The canonical SMILES for 2,5-ditert-butyl-3-methylquinoxaline is Cc1nc2c(C(C)(C)C)cccc2nc1C(C)(C)C.
What is the InChIKey of 2,5-ditert-butyl-3-methylquinoxaline?
The InChIKey is NKZXXJSPDLBNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-11-15(17(5,6)7)19-13-10-8-9-12(14(13)18-11)16(2,3)4/h8-10H,1-7H3.
What are the key properties of 2,5-ditert-butyl-3-methylquinoxaline?
2,5-ditert-butyl-3-methylquinoxaline has a molecular weight of 256.39 g/mol, XLogP of 4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-3-methylquinoxaline is sourced from PubChem (CID 134411080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).