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

C12H9NO2S — CID 58024740

IUPAC8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one
SMILESCOc1ccc2c(=O)[nH]c3sccc3c2c1
InChIInChI=1S/C12H9NO2S/c1-15-7-2-3-8-10(6-7)9-4-5-16-12(9)13-11(8)14/h2-6H,1H3,(H,13,14)
InChIKeyHTTRFYNWHOXUPE-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.75
Rot. Bonds1

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

8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one (PubChem CID 58024740) has the molecular formula C12H9NO2S and a molecular weight of 231.28 g/mol. Its IUPAC name is 8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one.

Molecular Properties

Compound Name8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one
PubChem CID58024740
Molecular FormulaC12H9NO2S
Molecular Weight231.28 g/mol
Exact Mass231.04
IUPAC Name8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one
SMILESCOc1ccc2c(=O)[nH]c3sccc3c2c1
InChIInChI=1S/C12H9NO2S/c1-15-7-2-3-8-10(6-7)9-4-5-16-12(9)13-11(8)14/h2-6H,1H3,(H,13,14)
InChIKeyHTTRFYNWHOXUPE-UHFFFAOYSA-N
XLogP2.75
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one?
The IUPAC name of 8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one (CID 58024740) is 8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one.
What is the SMILES notation for 8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one?
The canonical SMILES for 8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one is COc1ccc2c(=O)[nH]c3sccc3c2c1.
What is the InChIKey of 8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one?
The InChIKey is HTTRFYNWHOXUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2S/c1-15-7-2-3-8-10(6-7)9-4-5-16-12(9)13-11(8)14/h2-6H,1H3,(H,13,14).
What are the key properties of 8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one?
8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one has a molecular weight of 231.28 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4H-thieno[2,3-c]isoquinolin-5-one is sourced from PubChem (CID 58024740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).