2,7-ditert-butylquinoxaline

C16H22N2 — CID 134411063

IUPAC2,7-ditert-butylquinoxaline
SMILESCC(C)(C)c1ccc2ncc(C(C)(C)C)nc2c1
InChIInChI=1S/C16H22N2/c1-15(2,3)11-7-8-12-13(9-11)18-14(10-17-12)16(4,5)6/h7-10H,1-6H3
InChIKeyNTAVUFSRSWLVFR-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.22
Rot. Bonds

About 2,7-ditert-butylquinoxaline

2,7-ditert-butylquinoxaline (PubChem CID 134411063) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2,7-ditert-butylquinoxaline.

Molecular Properties

Compound Name2,7-ditert-butylquinoxaline
PubChem CID134411063
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2,7-ditert-butylquinoxaline
SMILESCC(C)(C)c1ccc2ncc(C(C)(C)C)nc2c1
InChIInChI=1S/C16H22N2/c1-15(2,3)11-7-8-12-13(9-11)18-14(10-17-12)16(4,5)6/h7-10H,1-6H3
InChIKeyNTAVUFSRSWLVFR-UHFFFAOYSA-N
XLogP4.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butylquinoxaline?
The IUPAC name of 2,7-ditert-butylquinoxaline (CID 134411063) is 2,7-ditert-butylquinoxaline.
What is the SMILES notation for 2,7-ditert-butylquinoxaline?
The canonical SMILES for 2,7-ditert-butylquinoxaline is CC(C)(C)c1ccc2ncc(C(C)(C)C)nc2c1.
What is the InChIKey of 2,7-ditert-butylquinoxaline?
The InChIKey is NTAVUFSRSWLVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-15(2,3)11-7-8-12-13(9-11)18-14(10-17-12)16(4,5)6/h7-10H,1-6H3.
What are the key properties of 2,7-ditert-butylquinoxaline?
2,7-ditert-butylquinoxaline has a molecular weight of 242.37 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butylquinoxaline is sourced from PubChem (CID 134411063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).