5,8-dimethyl-2,3-dipyridin-2-ylquinoxaline

C20H16N4 — CID 21026689

IUPAC5,8-dimethyl-2,3-dipyridin-2-ylquinoxaline
SMILESCc1ccc(C)c2nc(-c3ccccn3)c(-c3ccccn3)nc12
InChIInChI=1S/C20H16N4/c1-13-9-10-14(2)18-17(13)23-19(15-7-3-5-11-21-15)20(24-18)16-8-4-6-12-22-16/h3-12H,1-2H3
InChIKeyZKTDMNXJGSGEBG-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.37
Rot. Bonds2

About 5,8-dimethyl-2,3-dipyridin-2-ylquinoxaline

5,8-dimethyl-2,3-dipyridin-2-ylquinoxaline (PubChem CID 21026689) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 5,8-dimethyl-2,3-dipyridin-2-ylquinoxaline.

Molecular Properties

Compound Name5,8-dimethyl-2,3-dipyridin-2-ylquinoxaline
PubChem CID21026689
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name5,8-dimethyl-2,3-dipyridin-2-ylquinoxaline
SMILESCc1ccc(C)c2nc(-c3ccccn3)c(-c3ccccn3)nc12
InChIInChI=1S/C20H16N4/c1-13-9-10-14(2)18-17(13)23-19(15-7-3-5-11-21-15)20(24-18)16-8-4-6-12-22-16/h3-12H,1-2H3
InChIKeyZKTDMNXJGSGEBG-UHFFFAOYSA-N
XLogP4.37
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2,3-dipyridin-2-ylquinoxaline?
The IUPAC name of 5,8-dimethyl-2,3-dipyridin-2-ylquinoxaline (CID 21026689) is 5,8-dimethyl-2,3-dipyridin-2-ylquinoxaline.
What is the SMILES notation for 5,8-dimethyl-2,3-dipyridin-2-ylquinoxaline?
The canonical SMILES for 5,8-dimethyl-2,3-dipyridin-2-ylquinoxaline is Cc1ccc(C)c2nc(-c3ccccn3)c(-c3ccccn3)nc12.
What is the InChIKey of 5,8-dimethyl-2,3-dipyridin-2-ylquinoxaline?
The InChIKey is ZKTDMNXJGSGEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-13-9-10-14(2)18-17(13)23-19(15-7-3-5-11-21-15)20(24-18)16-8-4-6-12-22-16/h3-12H,1-2H3.
What are the key properties of 5,8-dimethyl-2,3-dipyridin-2-ylquinoxaline?
5,8-dimethyl-2,3-dipyridin-2-ylquinoxaline has a molecular weight of 312.38 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2,3-dipyridin-2-ylquinoxaline is sourced from PubChem (CID 21026689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).