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

C17H9F2NO2S — CID 53472579

IUPAC9-(3,4-difluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESO=c1[nH]c2ccc(O)c(-c3ccc(F)c(F)c3)c2c2ccsc12
InChIInChI=1S/C17H9F2NO2S/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)
InChIKeyWDNBSBZRLDFTLI-UHFFFAOYSA-N
MW329.33 g/mol
LogP4.39
Rot. Bonds1

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

9-(3,4-difluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 53472579) has the molecular formula C17H9F2NO2S and a molecular weight of 329.33 g/mol. Its IUPAC name is 9-(3,4-difluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-(3,4-difluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID53472579
Molecular FormulaC17H9F2NO2S
Molecular Weight329.33 g/mol
Exact Mass329.03
IUPAC Name9-(3,4-difluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESO=c1[nH]c2ccc(O)c(-c3ccc(F)c(F)c3)c2c2ccsc12
InChIInChI=1S/C17H9F2NO2S/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)
InChIKeyWDNBSBZRLDFTLI-UHFFFAOYSA-N
XLogP4.39
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ots964
CID 67448186
(R)-9-(4-(1-aminopropan-2-yl)phenyl)-8-hydroxy-6-methylthieno[2,3-c]quinolin-4(5H)-one
CID 67448836
(R)-9-(4-(1-Aminoethyl)phenyl)-8-hydroxy-6-methylthieno[2,3-c]quinolin-4(5H)-one
CID 68229183
OTS514 hydrochloride
CID 92044487
OTS964 hydrochloride
CID 89675898
N-(4-fluorophenyl)-5-(3-hydroxyphenyl)thiophene-2-carboxamide
CID 137518253
N-(3-fluorophenyl)-5-(3-hydroxyphenyl)thiophene-2-carboxamide
CID 137518285
10-hydroxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one
CID 118717513
4-(3-hydroxyphenyl)-3-methyl-6-oxo-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[2,3-b]pyridine-2-carboxamide
CID 24206402
N-(4-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydrothieno[2,3-b]pyridine-2-carboxamide
CID 42647466
9-[4-(aminomethyl)phenyl]-8-hydroxythieno[2,3-c]quinolin-4(5H)-one
CID 53386374
9-(3,4-difluorophenyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 53472537

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-difluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-(3,4-difluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (CID 53472579) is 9-(3,4-difluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-(3,4-difluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-(3,4-difluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is O=c1[nH]c2ccc(O)c(-c3ccc(F)c(F)c3)c2c2ccsc12.
What is the InChIKey of 9-(3,4-difluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is WDNBSBZRLDFTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F2NO2S/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-(3,4-difluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
9-(3,4-difluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 329.33 g/mol, XLogP of 4.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-difluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 53472579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).