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

C17H9ClFNO2S — CID 53472667

IUPAC9-(3-chloro-4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESO=c1[nH]c2ccc(O)c(-c3ccc(F)c(Cl)c3)c2c2ccsc12
InChIInChI=1S/C17H9ClFNO2S/c18-10-7-8(1-2-11(10)19)14-13(21)4-3-12-15(14)9-5-6-23-16(9)17(22)20-12/h1-7,21H,(H,20,22)
InChIKeyUOAYTZXDQHUWBG-UHFFFAOYSA-N
MW345.78 g/mol
LogP4.91
Rot. Bonds1

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

9-(3-chloro-4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 53472667) has the molecular formula C17H9ClFNO2S and a molecular weight of 345.78 g/mol. Its IUPAC name is 9-(3-chloro-4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-(3-chloro-4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID53472667
Molecular FormulaC17H9ClFNO2S
Molecular Weight345.78 g/mol
Exact Mass345.00
IUPAC Name9-(3-chloro-4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESO=c1[nH]c2ccc(O)c(-c3ccc(F)c(Cl)c3)c2c2ccsc12
InChIInChI=1S/C17H9ClFNO2S/c18-10-7-8(1-2-11(10)19)14-13(21)4-3-12-15(14)9-5-6-23-16(9)17(22)20-12/h1-7,21H,(H,20,22)
InChIKeyUOAYTZXDQHUWBG-UHFFFAOYSA-N
XLogP4.91
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(3-chloro-4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-(3-chloro-4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (CID 53472667) is 9-(3-chloro-4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-(3-chloro-4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-(3-chloro-4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is O=c1[nH]c2ccc(O)c(-c3ccc(F)c(Cl)c3)c2c2ccsc12.
What is the InChIKey of 9-(3-chloro-4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is UOAYTZXDQHUWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClFNO2S/c18-10-7-8(1-2-11(10)19)14-13(21)4-3-12-15(14)9-5-6-23-16(9)17(22)20-12/h1-7,21H,(H,20,22).
What are the key properties of 9-(3-chloro-4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
9-(3-chloro-4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 345.78 g/mol, XLogP of 4.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chloro-4-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 53472667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).