2-methyl-6,7-dithiophen-2-yl-8H-imidazo[4,5-g]quinoxaline

C18H12N4S2 — CID 146673760

IUPAC2-methyl-6,7-dithiophen-2-yl-8H-imidazo[4,5-g]quinoxaline
SMILESCc1nc2cc3nc(-c4cccs4)c(-c4cccs4)[nH]c3cc2n1
InChIInChI=1S/C18H12N4S2/c1-10-19-11-8-13-14(9-12(11)20-10)22-18(16-5-3-7-24-16)17(21-13)15-4-2-6-23-15/h2-9,21H,1H3
InChIKeyQMWYMHINABKHBM-UHFFFAOYSA-N
MW348.46 g/mol
LogP5.27
Rot. Bonds2

About 2-methyl-6,7-dithiophen-2-yl-8H-imidazo[4,5-g]quinoxaline

2-methyl-6,7-dithiophen-2-yl-8H-imidazo[4,5-g]quinoxaline (PubChem CID 146673760) has the molecular formula C18H12N4S2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 2-methyl-6,7-dithiophen-2-yl-8H-imidazo[4,5-g]quinoxaline.

Molecular Properties

Compound Name2-methyl-6,7-dithiophen-2-yl-8H-imidazo[4,5-g]quinoxaline
PubChem CID146673760
Molecular FormulaC18H12N4S2
Molecular Weight348.46 g/mol
Exact Mass348.05
IUPAC Name2-methyl-6,7-dithiophen-2-yl-8H-imidazo[4,5-g]quinoxaline
SMILESCc1nc2cc3nc(-c4cccs4)c(-c4cccs4)[nH]c3cc2n1
InChIInChI=1S/C18H12N4S2/c1-10-19-11-8-13-14(9-12(11)20-10)22-18(16-5-3-7-24-16)17(21-13)15-4-2-6-23-15/h2-9,21H,1H3
InChIKeyQMWYMHINABKHBM-UHFFFAOYSA-N
XLogP5.27
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.46
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,7-dithiophen-2-yl-8H-imidazo[4,5-g]quinoxaline?
The IUPAC name of 2-methyl-6,7-dithiophen-2-yl-8H-imidazo[4,5-g]quinoxaline (CID 146673760) is 2-methyl-6,7-dithiophen-2-yl-8H-imidazo[4,5-g]quinoxaline.
What is the SMILES notation for 2-methyl-6,7-dithiophen-2-yl-8H-imidazo[4,5-g]quinoxaline?
The canonical SMILES for 2-methyl-6,7-dithiophen-2-yl-8H-imidazo[4,5-g]quinoxaline is Cc1nc2cc3nc(-c4cccs4)c(-c4cccs4)[nH]c3cc2n1.
What is the InChIKey of 2-methyl-6,7-dithiophen-2-yl-8H-imidazo[4,5-g]quinoxaline?
The InChIKey is QMWYMHINABKHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4S2/c1-10-19-11-8-13-14(9-12(11)20-10)22-18(16-5-3-7-24-16)17(21-13)15-4-2-6-23-15/h2-9,21H,1H3.
What are the key properties of 2-methyl-6,7-dithiophen-2-yl-8H-imidazo[4,5-g]quinoxaline?
2-methyl-6,7-dithiophen-2-yl-8H-imidazo[4,5-g]quinoxaline has a molecular weight of 348.46 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7-dithiophen-2-yl-8H-imidazo[4,5-g]quinoxaline is sourced from PubChem (CID 146673760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).