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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Related Compounds

5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline;N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]pyrazino[2,3-g]quinoxalin-10-yl]thiophen-2-amine
CID 159244598
2-(5-bromothiophen-2-yl)-1,3-thiazole
CID 18791073
4-(5-bromothiophen-2-yl)-2-chloropyrimidine
CID 15141655
2-(5-bromothiophen-2-yl)-1-methylimidazole
CID 129415994
4-(5-bromothiophen-2-yl)-7-[5-[4-(5-bromothiophen-2-yl)-5,6-dioctoxy-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-5,6-dioctoxy-2,1,3-benzothiadiazole
CID 122387489
4-(5-bromothiophen-2-yl)-2-(trifluoromethyl)pyrimidine
CID 116903682
2-(5-bromothiophen-2-yl)-1-quinoxalin-5-ylethanone
CID 105088874
4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole-5,6-diamine;4,7-dithiophen-2-yl-2,1,3-benzothiadiazole-5,6-diamine
CID 157485731
5,8-bis(5-methylthiophen-2-yl)quinoxaline
CID 58982512
4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 67384162
4,7-bis(5-bromothiophen-2-yl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonitrile
CID 101079793
2-(5-bromothiophen-2-yl)-5-chloro-1,3,4-thiadiazole
CID 63386076

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).