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

C17H9ClFNO2S — CID 53472668

IUPAC9-(4-chloro-3-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESO=c1[nH]c2ccc(O)c(-c3ccc(Cl)c(F)c3)c2c2ccsc12
InChIInChI=1S/C17H9ClFNO2S/c18-10-2-1-8(7-11(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)
InChIKeyKEGONDKQNSQDHW-UHFFFAOYSA-N
MW345.78 g/mol
LogP4.91
Rot. Bonds1

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

9-(4-chloro-3-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 53472668) has the molecular formula C17H9ClFNO2S and a molecular weight of 345.78 g/mol. Its IUPAC name is 9-(4-chloro-3-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-(4-chloro-3-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID53472668
Molecular FormulaC17H9ClFNO2S
Molecular Weight345.78 g/mol
Exact Mass345.00
IUPAC Name9-(4-chloro-3-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESO=c1[nH]c2ccc(O)c(-c3ccc(Cl)c(F)c3)c2c2ccsc12
InChIInChI=1S/C17H9ClFNO2S/c18-10-2-1-8(7-11(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)
InChIKeyKEGONDKQNSQDHW-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)benzonitrile
CID 67449491
9-[4-(2-aminoethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 67448385
N-[2-hydroxy-4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methanesulfonamide
CID 67450562
9-[4-(1-aminoethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67447133
4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-N-methylbenzenesulfonamide
CID 67447501
9-[4-(4-aminobutan-2-yl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 67450109
9-[4-(2-aminoethyl)-3-fluorophenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67449966
9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67448290
8-hydroxy-9-[4-[(propan-2-ylideneamino)methyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one
CID 123968671
8-hydroxy-4-oxo-9-[4-[(sulfinatoamino)methyl]phenyl]-5H-thieno[2,3-c]quinoline
CID 118234989
3-[3-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propanenitrile
CID 67448155
8-hydroxy-9-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5H-thieno[2,3-c]quinolin-4-one
CID 53472847

Frequently Asked Questions

What is the IUPAC name of 9-(4-chloro-3-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-(4-chloro-3-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (CID 53472668) is 9-(4-chloro-3-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-(4-chloro-3-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-(4-chloro-3-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is O=c1[nH]c2ccc(O)c(-c3ccc(Cl)c(F)c3)c2c2ccsc12.
What is the InChIKey of 9-(4-chloro-3-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is KEGONDKQNSQDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClFNO2S/c18-10-2-1-8(7-11(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-(4-chloro-3-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
9-(4-chloro-3-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-(4-chloro-3-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 53472668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).