2,3,7,8-tetrapyridin-2-ylpyrazino[2,3-g]quinoxaline

C30H18N8 — CID 15553512

IUPAC2,3,7,8-tetrapyridin-2-ylpyrazino[2,3-g]quinoxaline
SMILESc1ccc(-c2nc3cc4nc(-c5ccccn5)c(-c5ccccn5)nc4cc3nc2-c2ccccn2)nc1
InChIInChI=1S/C30H18N8/c1-5-13-31-19(9-1)27-28(20-10-2-6-14-32-20)36-24-18-26-25(17-23(24)35-27)37-29(21-11-3-7-15-33-21)30(38-26)22-12-4-8-16-34-22/h1-18H
InChIKeyXZYMTZQSRNBSQK-UHFFFAOYSA-N
MW490.53 g/mol
LogP5.82
Rot. Bonds4

About 2,3,7,8-tetrapyridin-2-ylpyrazino[2,3-g]quinoxaline

2,3,7,8-tetrapyridin-2-ylpyrazino[2,3-g]quinoxaline (PubChem CID 15553512) has the molecular formula C30H18N8 and a molecular weight of 490.53 g/mol. Its IUPAC name is 2,3,7,8-tetrapyridin-2-ylpyrazino[2,3-g]quinoxaline.

Molecular Properties

Compound Name2,3,7,8-tetrapyridin-2-ylpyrazino[2,3-g]quinoxaline
PubChem CID15553512
Molecular FormulaC30H18N8
Molecular Weight490.53 g/mol
Exact Mass490.17
IUPAC Name2,3,7,8-tetrapyridin-2-ylpyrazino[2,3-g]quinoxaline
SMILESc1ccc(-c2nc3cc4nc(-c5ccccn5)c(-c5ccccn5)nc4cc3nc2-c2ccccn2)nc1
InChIInChI=1S/C30H18N8/c1-5-13-31-19(9-1)27-28(20-10-2-6-14-32-20)36-24-18-26-25(17-23(24)35-27)37-29(21-11-3-7-15-33-21)30(38-26)22-12-4-8-16-34-22/h1-18H
InChIKeyXZYMTZQSRNBSQK-UHFFFAOYSA-N
XLogP5.82
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.53
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,7,8-tetrapyridin-2-ylpyrazino[2,3-g]quinoxaline?
The IUPAC name of 2,3,7,8-tetrapyridin-2-ylpyrazino[2,3-g]quinoxaline (CID 15553512) is 2,3,7,8-tetrapyridin-2-ylpyrazino[2,3-g]quinoxaline.
What is the SMILES notation for 2,3,7,8-tetrapyridin-2-ylpyrazino[2,3-g]quinoxaline?
The canonical SMILES for 2,3,7,8-tetrapyridin-2-ylpyrazino[2,3-g]quinoxaline is c1ccc(-c2nc3cc4nc(-c5ccccn5)c(-c5ccccn5)nc4cc3nc2-c2ccccn2)nc1.
What is the InChIKey of 2,3,7,8-tetrapyridin-2-ylpyrazino[2,3-g]quinoxaline?
The InChIKey is XZYMTZQSRNBSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N8/c1-5-13-31-19(9-1)27-28(20-10-2-6-14-32-20)36-24-18-26-25(17-23(24)35-27)37-29(21-11-3-7-15-33-21)30(38-26)22-12-4-8-16-34-22/h1-18H.
What are the key properties of 2,3,7,8-tetrapyridin-2-ylpyrazino[2,3-g]quinoxaline?
2,3,7,8-tetrapyridin-2-ylpyrazino[2,3-g]quinoxaline has a molecular weight of 490.53 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,8-tetrapyridin-2-ylpyrazino[2,3-g]quinoxaline is sourced from PubChem (CID 15553512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).