5,6,8-trimethylquinoxaline

C11H12N2 — CID 58813986

IUPAC5,6,8-trimethylquinoxaline
SMILESCc1cc(C)c2nccnc2c1C
InChIInChI=1S/C11H12N2/c1-7-6-8(2)10-11(9(7)3)13-5-4-12-10/h4-6H,1-3H3
InChIKeyAFFAWZFDYNYCNG-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.56
Rot. Bonds

About 5,6,8-trimethylquinoxaline

5,6,8-trimethylquinoxaline (PubChem CID 58813986) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 5,6,8-trimethylquinoxaline.

Molecular Properties

Compound Name5,6,8-trimethylquinoxaline
PubChem CID58813986
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name5,6,8-trimethylquinoxaline
SMILESCc1cc(C)c2nccnc2c1C
InChIInChI=1S/C11H12N2/c1-7-6-8(2)10-11(9(7)3)13-5-4-12-10/h4-6H,1-3H3
InChIKeyAFFAWZFDYNYCNG-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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Related Compounds

6-Methylquinoline
CID 7059
4,7-Diphenyl-1,10-phenanthroline
CID 72812
1,10-Phenanthroline
CID 1318
5-Methylquinoxaline
CID 61670
4-Methylquinoline
CID 10285
Benzo(F)Quinoline
CID 6796
8-Methylquinoline
CID 11910
3-Aminoquinoline
CID 11375
3-Methylquinoline
CID 11926
1,10-Phenanthroline hydrate
CID 21226
5-Methyl-1,10-phenanthroline
CID 72791
4,7-Dimethyl-1,10-phenanthroline
CID 72792

Frequently Asked Questions

What is the IUPAC name of 5,6,8-trimethylquinoxaline?
The IUPAC name of 5,6,8-trimethylquinoxaline (CID 58813986) is 5,6,8-trimethylquinoxaline.
What is the SMILES notation for 5,6,8-trimethylquinoxaline?
The canonical SMILES for 5,6,8-trimethylquinoxaline is Cc1cc(C)c2nccnc2c1C.
What is the InChIKey of 5,6,8-trimethylquinoxaline?
The InChIKey is AFFAWZFDYNYCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-7-6-8(2)10-11(9(7)3)13-5-4-12-10/h4-6H,1-3H3.
What are the key properties of 5,6,8-trimethylquinoxaline?
5,6,8-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 5,6,8-trimethylquinoxaline is sourced from PubChem (CID 58813986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).