methyl 4-methoxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate

C22H19N5O5S — CID 24992461

IUPACmethyl 4-methoxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate
SMILESCOC(=O)c1ccc(OC)cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C22H19N5O5S/c1-31-14-9-10-16(22(28)32-2)19(12-14)26-20-21(25-18-8-4-3-7-17(18)24-20)27-33(29,30)15-6-5-11-23-13-15/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKeyXBYWRKHXBUTUMD-UHFFFAOYSA-N
MW465.49 g/mol
LogP3.36
Rot. Bonds7

About methyl 4-methoxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate

methyl 4-methoxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate (PubChem CID 24992461) has the molecular formula C22H19N5O5S and a molecular weight of 465.49 g/mol. Its IUPAC name is methyl 4-methoxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate
PubChem CID24992461
Molecular FormulaC22H19N5O5S
Molecular Weight465.49 g/mol
Exact Mass465.11
IUPAC Namemethyl 4-methoxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate
SMILESCOC(=O)c1ccc(OC)cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C22H19N5O5S/c1-31-14-9-10-16(22(28)32-2)19(12-14)26-20-21(25-18-8-4-3-7-17(18)24-20)27-33(29,30)15-6-5-11-23-13-15/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKeyXBYWRKHXBUTUMD-UHFFFAOYSA-N
XLogP3.36
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate?
The IUPAC name of methyl 4-methoxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate (CID 24992461) is methyl 4-methoxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate.
What is the SMILES notation for methyl 4-methoxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate?
The canonical SMILES for methyl 4-methoxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate is COC(=O)c1ccc(OC)cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cccnc1.
What is the InChIKey of methyl 4-methoxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate?
The InChIKey is XBYWRKHXBUTUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O5S/c1-31-14-9-10-16(22(28)32-2)19(12-14)26-20-21(25-18-8-4-3-7-17(18)24-20)27-33(29,30)15-6-5-11-23-13-15/h3-13H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of methyl 4-methoxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate?
methyl 4-methoxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate has a molecular weight of 465.49 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-2-[[3-(pyridin-3-ylsulfonylamino)quinoxalin-2-yl]amino]benzoate is sourced from PubChem (CID 24992461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).