2,6,7-trimethylquinoxaline

C11H12N2 — CID 22975401

IUPAC2,6,7-trimethylquinoxaline
SMILESCc1cnc2cc(C)c(C)cc2n1
InChIInChI=1S/C11H12N2/c1-7-4-10-11(5-8(7)2)13-9(3)6-12-10/h4-6H,1-3H3
InChIKeyZSOLLSAKMTZPAJ-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.56
Rot. Bonds

About 2,6,7-trimethylquinoxaline

2,6,7-trimethylquinoxaline (PubChem CID 22975401) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2,6,7-trimethylquinoxaline.

Molecular Properties

Compound Name2,6,7-trimethylquinoxaline
PubChem CID22975401
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2,6,7-trimethylquinoxaline
SMILESCc1cnc2cc(C)c(C)cc2n1
InChIInChI=1S/C11H12N2/c1-7-4-10-11(5-8(7)2)13-9(3)6-12-10/h4-6H,1-3H3
InChIKeyZSOLLSAKMTZPAJ-UHFFFAOYSA-N
XLogP2.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6,7-trimethylquinoxaline?
The IUPAC name of 2,6,7-trimethylquinoxaline (CID 22975401) is 2,6,7-trimethylquinoxaline.
What is the SMILES notation for 2,6,7-trimethylquinoxaline?
The canonical SMILES for 2,6,7-trimethylquinoxaline is Cc1cnc2cc(C)c(C)cc2n1.
What is the InChIKey of 2,6,7-trimethylquinoxaline?
The InChIKey is ZSOLLSAKMTZPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-7-4-10-11(5-8(7)2)13-9(3)6-12-10/h4-6H,1-3H3.
What are the key properties of 2,6,7-trimethylquinoxaline?
2,6,7-trimethylquinoxaline has a molecular weight of 172.23 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trimethylquinoxaline is sourced from PubChem (CID 22975401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).