methyl 6-(5-methylthiophen-2-yl)indolo[1,2-a]quinoxaline-3-carboxylate

C22H16N2O2S — CID 53359303

IUPACmethyl 6-(5-methylthiophen-2-yl)indolo[1,2-a]quinoxaline-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(-c1ccc(C)s1)c1cc3ccccc3n12
InChIInChI=1S/C22H16N2O2S/c1-13-7-10-20(27-13)21-19-12-14-5-3-4-6-17(14)24(19)18-9-8-15(22(25)26-2)11-16(18)23-21/h3-12H,1-2H3
InChIKeyGFVNZBHWLBAVOO-UHFFFAOYSA-N
MW372.45 g/mol
LogP5.46
Rot. Bonds2

About methyl 6-(5-methylthiophen-2-yl)indolo[1,2-a]quinoxaline-3-carboxylate

methyl 6-(5-methylthiophen-2-yl)indolo[1,2-a]quinoxaline-3-carboxylate (PubChem CID 53359303) has the molecular formula C22H16N2O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is methyl 6-(5-methylthiophen-2-yl)indolo[1,2-a]quinoxaline-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(5-methylthiophen-2-yl)indolo[1,2-a]quinoxaline-3-carboxylate
PubChem CID53359303
Molecular FormulaC22H16N2O2S
Molecular Weight372.45 g/mol
Exact Mass372.09
IUPAC Namemethyl 6-(5-methylthiophen-2-yl)indolo[1,2-a]quinoxaline-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(-c1ccc(C)s1)c1cc3ccccc3n12
InChIInChI=1S/C22H16N2O2S/c1-13-7-10-20(27-13)21-19-12-14-5-3-4-6-17(14)24(19)18-9-8-15(22(25)26-2)11-16(18)23-21/h3-12H,1-2H3
InChIKeyGFVNZBHWLBAVOO-UHFFFAOYSA-N
XLogP5.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.45
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(5-methylthiophen-2-yl)indolo[1,2-a]quinoxaline-3-carboxylate?
The IUPAC name of methyl 6-(5-methylthiophen-2-yl)indolo[1,2-a]quinoxaline-3-carboxylate (CID 53359303) is methyl 6-(5-methylthiophen-2-yl)indolo[1,2-a]quinoxaline-3-carboxylate.
What is the SMILES notation for methyl 6-(5-methylthiophen-2-yl)indolo[1,2-a]quinoxaline-3-carboxylate?
The canonical SMILES for methyl 6-(5-methylthiophen-2-yl)indolo[1,2-a]quinoxaline-3-carboxylate is COC(=O)c1ccc2c(c1)nc(-c1ccc(C)s1)c1cc3ccccc3n12.
What is the InChIKey of methyl 6-(5-methylthiophen-2-yl)indolo[1,2-a]quinoxaline-3-carboxylate?
The InChIKey is GFVNZBHWLBAVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2S/c1-13-7-10-20(27-13)21-19-12-14-5-3-4-6-17(14)24(19)18-9-8-15(22(25)26-2)11-16(18)23-21/h3-12H,1-2H3.
What are the key properties of methyl 6-(5-methylthiophen-2-yl)indolo[1,2-a]quinoxaline-3-carboxylate?
methyl 6-(5-methylthiophen-2-yl)indolo[1,2-a]quinoxaline-3-carboxylate has a molecular weight of 372.45 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(5-methylthiophen-2-yl)indolo[1,2-a]quinoxaline-3-carboxylate is sourced from PubChem (CID 53359303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).