9-(4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one

C17H10FNO2S — CID 53472670

IUPAC9-(4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESO=c1[nH]c2ccc(O)c(-c3ccc(F)cc3)c2c2ccsc12
InChIInChI=1S/C17H10FNO2S/c18-10-3-1-9(2-4-10)14-13(20)6-5-12-15(14)11-7-8-22-16(11)17(21)19-12/h1-8,20H,(H,19,21)
InChIKeyIODLORBURHZYFR-UHFFFAOYSA-N
MW311.34 g/mol
LogP4.25
Rot. Bonds1

About 9-(4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one

9-(4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 53472670) has the molecular formula C17H10FNO2S and a molecular weight of 311.34 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-(4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID53472670
Molecular FormulaC17H10FNO2S
Molecular Weight311.34 g/mol
Exact Mass311.04
IUPAC Name9-(4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESO=c1[nH]c2ccc(O)c(-c3ccc(F)cc3)c2c2ccsc12
InChIInChI=1S/C17H10FNO2S/c18-10-3-1-9(2-4-10)14-13(20)6-5-12-15(14)11-7-8-22-16(11)17(21)19-12/h1-8,20H,(H,19,21)
InChIKeyIODLORBURHZYFR-UHFFFAOYSA-N
XLogP4.25
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-(4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (CID 53472670) is 9-(4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-(4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-(4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is O=c1[nH]c2ccc(O)c(-c3ccc(F)cc3)c2c2ccsc12.
What is the InChIKey of 9-(4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is IODLORBURHZYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FNO2S/c18-10-3-1-9(2-4-10)14-13(20)6-5-12-15(14)11-7-8-22-16(11)17(21)19-12/h1-8,20H,(H,19,21).
What are the key properties of 9-(4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
9-(4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 311.34 g/mol, XLogP of 4.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 53472670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).