7-fluoro-9-methoxy-4H-thieno[2,3-c]isoquinolin-5-one

C12H8FNO2S — CID 58024724

IUPAC7-fluoro-9-methoxy-4H-thieno[2,3-c]isoquinolin-5-one
SMILESCOc1cc(F)cc2c(=O)[nH]c3sccc3c12
InChIInChI=1S/C12H8FNO2S/c1-16-9-5-6(13)4-8-10(9)7-2-3-17-12(7)14-11(8)15/h2-5H,1H3,(H,14,15)
InChIKeyHPMVHDQHNFTWQB-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.89
Rot. Bonds1

About 7-fluoro-9-methoxy-4H-thieno[2,3-c]isoquinolin-5-one

7-fluoro-9-methoxy-4H-thieno[2,3-c]isoquinolin-5-one (PubChem CID 58024724) has the molecular formula C12H8FNO2S and a molecular weight of 249.27 g/mol. Its IUPAC name is 7-fluoro-9-methoxy-4H-thieno[2,3-c]isoquinolin-5-one.

Molecular Properties

Compound Name7-fluoro-9-methoxy-4H-thieno[2,3-c]isoquinolin-5-one
PubChem CID58024724
Molecular FormulaC12H8FNO2S
Molecular Weight249.27 g/mol
Exact Mass249.03
IUPAC Name7-fluoro-9-methoxy-4H-thieno[2,3-c]isoquinolin-5-one
SMILESCOc1cc(F)cc2c(=O)[nH]c3sccc3c12
InChIInChI=1S/C12H8FNO2S/c1-16-9-5-6(13)4-8-10(9)7-2-3-17-12(7)14-11(8)15/h2-5H,1H3,(H,14,15)
InChIKeyHPMVHDQHNFTWQB-UHFFFAOYSA-N
XLogP2.89
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-9-methoxy-4H-thieno[2,3-c]isoquinolin-5-one?
The IUPAC name of 7-fluoro-9-methoxy-4H-thieno[2,3-c]isoquinolin-5-one (CID 58024724) is 7-fluoro-9-methoxy-4H-thieno[2,3-c]isoquinolin-5-one.
What is the SMILES notation for 7-fluoro-9-methoxy-4H-thieno[2,3-c]isoquinolin-5-one?
The canonical SMILES for 7-fluoro-9-methoxy-4H-thieno[2,3-c]isoquinolin-5-one is COc1cc(F)cc2c(=O)[nH]c3sccc3c12.
What is the InChIKey of 7-fluoro-9-methoxy-4H-thieno[2,3-c]isoquinolin-5-one?
The InChIKey is HPMVHDQHNFTWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO2S/c1-16-9-5-6(13)4-8-10(9)7-2-3-17-12(7)14-11(8)15/h2-5H,1H3,(H,14,15).
What are the key properties of 7-fluoro-9-methoxy-4H-thieno[2,3-c]isoquinolin-5-one?
7-fluoro-9-methoxy-4H-thieno[2,3-c]isoquinolin-5-one has a molecular weight of 249.27 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-9-methoxy-4H-thieno[2,3-c]isoquinolin-5-one is sourced from PubChem (CID 58024724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).