8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one

C13H11NO2S — CID 162368296

IUPAC8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one
SMILESCCOc1ccc2c(=O)[nH]c3sccc3c2c1
InChIInChI=1S/C13H11NO2S/c1-2-16-8-3-4-9-11(7-8)10-5-6-17-13(10)14-12(9)15/h3-7H,2H2,1H3,(H,14,15)
InChIKeyLKASVOXYBOMEHH-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.14
Rot. Bonds2

About 8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one

8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one (PubChem CID 162368296) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is 8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one.

Molecular Properties

Compound Name8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one
PubChem CID162368296
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one
SMILESCCOc1ccc2c(=O)[nH]c3sccc3c2c1
InChIInChI=1S/C13H11NO2S/c1-2-16-8-3-4-9-11(7-8)10-5-6-17-13(10)14-12(9)15/h3-7H,2H2,1H3,(H,14,15)
InChIKeyLKASVOXYBOMEHH-UHFFFAOYSA-N
XLogP3.14
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one?
The IUPAC name of 8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one (CID 162368296) is 8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one.
What is the SMILES notation for 8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one?
The canonical SMILES for 8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one is CCOc1ccc2c(=O)[nH]c3sccc3c2c1.
What is the InChIKey of 8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one?
The InChIKey is LKASVOXYBOMEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c1-2-16-8-3-4-9-11(7-8)10-5-6-17-13(10)14-12(9)15/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of 8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one?
8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one has a molecular weight of 245.30 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-4H-thieno[2,3-c]isoquinolin-5-one is sourced from PubChem (CID 162368296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).