7-methoxy-3-thiophen-2-yl-1H-quinoxalin-2-one

C13H10N2O2S — CID 21083674

IUPAC7-methoxy-3-thiophen-2-yl-1H-quinoxalin-2-one
SMILESCOc1ccc2nc(-c3cccs3)c(=O)[nH]c2c1
InChIInChI=1S/C13H10N2O2S/c1-17-8-4-5-9-10(7-8)15-13(16)12(14-9)11-3-2-6-18-11/h2-7H,1H3,(H,15,16)
InChIKeyCAJPIBZNYZMHDW-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.66
Rot. Bonds2

About 7-methoxy-3-thiophen-2-yl-1H-quinoxalin-2-one

7-methoxy-3-thiophen-2-yl-1H-quinoxalin-2-one (PubChem CID 21083674) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 7-methoxy-3-thiophen-2-yl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-methoxy-3-thiophen-2-yl-1H-quinoxalin-2-one
PubChem CID21083674
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name7-methoxy-3-thiophen-2-yl-1H-quinoxalin-2-one
SMILESCOc1ccc2nc(-c3cccs3)c(=O)[nH]c2c1
InChIInChI=1S/C13H10N2O2S/c1-17-8-4-5-9-10(7-8)15-13(16)12(14-9)11-3-2-6-18-11/h2-7H,1H3,(H,15,16)
InChIKeyCAJPIBZNYZMHDW-UHFFFAOYSA-N
XLogP2.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-thiophen-2-yl-1H-quinoxalin-2-one?
The IUPAC name of 7-methoxy-3-thiophen-2-yl-1H-quinoxalin-2-one (CID 21083674) is 7-methoxy-3-thiophen-2-yl-1H-quinoxalin-2-one.
What is the SMILES notation for 7-methoxy-3-thiophen-2-yl-1H-quinoxalin-2-one?
The canonical SMILES for 7-methoxy-3-thiophen-2-yl-1H-quinoxalin-2-one is COc1ccc2nc(-c3cccs3)c(=O)[nH]c2c1.
What is the InChIKey of 7-methoxy-3-thiophen-2-yl-1H-quinoxalin-2-one?
The InChIKey is CAJPIBZNYZMHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-17-8-4-5-9-10(7-8)15-13(16)12(14-9)11-3-2-6-18-11/h2-7H,1H3,(H,15,16).
What are the key properties of 7-methoxy-3-thiophen-2-yl-1H-quinoxalin-2-one?
7-methoxy-3-thiophen-2-yl-1H-quinoxalin-2-one has a molecular weight of 258.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-thiophen-2-yl-1H-quinoxalin-2-one is sourced from PubChem (CID 21083674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).