8-ethoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one

C13H13NO2S — CID 162368913

IUPAC8-ethoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one
SMILESCCOc1ccc2c(=O)[nH]c3c(c2c1)CCS3
InChIInChI=1S/C13H13NO2S/c1-2-16-8-3-4-9-11(7-8)10-5-6-17-13(10)14-12(9)15/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyTZCUYFBGOJGUQW-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.58
Rot. Bonds2

About 8-ethoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one

8-ethoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one (PubChem CID 162368913) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 8-ethoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one.

Molecular Properties

Compound Name8-ethoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one
PubChem CID162368913
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name8-ethoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one
SMILESCCOc1ccc2c(=O)[nH]c3c(c2c1)CCS3
InChIInChI=1S/C13H13NO2S/c1-2-16-8-3-4-9-11(7-8)10-5-6-17-13(10)14-12(9)15/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyTZCUYFBGOJGUQW-UHFFFAOYSA-N
XLogP2.58
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one?
The IUPAC name of 8-ethoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one (CID 162368913) is 8-ethoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one.
What is the SMILES notation for 8-ethoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one?
The canonical SMILES for 8-ethoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one is CCOc1ccc2c(=O)[nH]c3c(c2c1)CCS3.
What is the InChIKey of 8-ethoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one?
The InChIKey is TZCUYFBGOJGUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-2-16-8-3-4-9-11(7-8)10-5-6-17-13(10)14-12(9)15/h3-4,7H,2,5-6H2,1H3,(H,14,15).
What are the key properties of 8-ethoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one?
8-ethoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one has a molecular weight of 247.32 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one is sourced from PubChem (CID 162368913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).