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

C11H7NO2S — CID 161231673

IUPAC8-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one
SMILESO=c1[nH]c2sccc2c2cc(O)ccc12
InChIInChI=1S/C11H7NO2S/c13-6-1-2-7-9(5-6)8-3-4-15-11(8)12-10(7)14/h1-5,13H,(H,12,14)
InChIKeyUYVFDEFXTXVVAF-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.45
Rot. Bonds

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

8-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one (PubChem CID 161231673) has the molecular formula C11H7NO2S and a molecular weight of 217.25 g/mol. Its IUPAC name is 8-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one.

Molecular Properties

Compound Name8-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one
PubChem CID161231673
Molecular FormulaC11H7NO2S
Molecular Weight217.25 g/mol
Exact Mass217.02
IUPAC Name8-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one
SMILESO=c1[nH]c2sccc2c2cc(O)ccc12
InChIInChI=1S/C11H7NO2S/c13-6-1-2-7-9(5-6)8-3-4-15-11(8)12-10(7)14/h1-5,13H,(H,12,14)
InChIKeyUYVFDEFXTXVVAF-UHFFFAOYSA-N
XLogP2.45
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-methoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
CID 58024740
8-ethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
CID 162368296
2-((dimethylamino)methyl)-9-hydroxythieno(2,3-c)isoquinolin-5(4H)-one
CID 44537943
Art-IN-1
CID 162368334
2-Dimethylaminomethyl-9-hydroxythieno[2,3-c]isoquinolin-5(4H)-one hydrobromide
CID 67072266
8-phenylmethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
CID 162368286
2-Dimethylaminomethyl-9-hydroxy-4h-thieno[2,3-c]isoquinolin-5-one-hydrochloride
CID 67072231
2-[(dimethylamino)methyl]-7-fluoro-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one
CID 44600821
5-fluoro-3-(2-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
CID 53304007
5-fluoro-3-(2-hydroxy-4-methylphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
CID 67297331
5-fluoro-3-(3-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
CID 67297367
5-fluoro-3-(4-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
CID 67297381

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one?
The IUPAC name of 8-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one (CID 161231673) is 8-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one.
What is the SMILES notation for 8-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one?
The canonical SMILES for 8-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one is O=c1[nH]c2sccc2c2cc(O)ccc12.
What is the InChIKey of 8-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one?
The InChIKey is UYVFDEFXTXVVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO2S/c13-6-1-2-7-9(5-6)8-3-4-15-11(8)12-10(7)14/h1-5,13H,(H,12,14).
What are the key properties of 8-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one?
8-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one has a molecular weight of 217.25 g/mol, XLogP of 2.45, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one is sourced from PubChem (CID 161231673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).