5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline

C18H8Br2N4S2 — CID 138493359

IUPAC5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline
SMILESBrc1ccc(-c2c3nccnc3c(-c3ccc(Br)s3)c3nccnc23)s1
InChIInChI=1S/C18H8Br2N4S2/c19-11-3-1-9(25-11)13-15-17(23-7-5-21-15)14(10-2-4-12(20)26-10)18-16(13)22-6-8-24-18/h1-8H
InChIKeyWJDCRXAJMLPXCP-UHFFFAOYSA-N
MW504.23 g/mol
LogP6.55
Rot. Bonds2

About 5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline

5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline (PubChem CID 138493359) has the molecular formula C18H8Br2N4S2 and a molecular weight of 504.23 g/mol. Its IUPAC name is 5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline.

Molecular Properties

Compound Name5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline
PubChem CID138493359
Molecular FormulaC18H8Br2N4S2
Molecular Weight504.23 g/mol
Exact Mass501.86
IUPAC Name5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline
SMILESBrc1ccc(-c2c3nccnc3c(-c3ccc(Br)s3)c3nccnc23)s1
InChIInChI=1S/C18H8Br2N4S2/c19-11-3-1-9(25-11)13-15-17(23-7-5-21-15)14(10-2-4-12(20)26-10)18-16(13)22-6-8-24-18/h1-8H
InChIKeyWJDCRXAJMLPXCP-UHFFFAOYSA-N
XLogP6.55
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.23
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline?
The IUPAC name of 5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline (CID 138493359) is 5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline.
What is the SMILES notation for 5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline?
The canonical SMILES for 5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline is Brc1ccc(-c2c3nccnc3c(-c3ccc(Br)s3)c3nccnc23)s1.
What is the InChIKey of 5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline?
The InChIKey is WJDCRXAJMLPXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Br2N4S2/c19-11-3-1-9(25-11)13-15-17(23-7-5-21-15)14(10-2-4-12(20)26-10)18-16(13)22-6-8-24-18/h1-8H.
What are the key properties of 5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline?
5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline has a molecular weight of 504.23 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline is sourced from PubChem (CID 138493359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).