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

C18H10F3NO3S — CID 53472620

IUPAC8-hydroxy-9-[3-hydroxy-5-(trifluoromethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one
SMILESO=c1[nH]c2ccc(O)c(-c3cc(O)cc(C(F)(F)F)c3)c2c2ccsc12
InChIInChI=1S/C18H10F3NO3S/c19-18(20,21)9-5-8(6-10(23)7-9)14-13(24)2-1-12-15(14)11-3-4-26-16(11)17(25)22-12/h1-7,23-24H,(H,22,25)
InChIKeyJTORDYUXYKYKMZ-UHFFFAOYSA-N
MW377.34 g/mol
LogP4.84
Rot. Bonds1

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

8-hydroxy-9-[3-hydroxy-5-(trifluoromethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 53472620) has the molecular formula C18H10F3NO3S and a molecular weight of 377.34 g/mol. Its IUPAC name is 8-hydroxy-9-[3-hydroxy-5-(trifluoromethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name8-hydroxy-9-[3-hydroxy-5-(trifluoromethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one
PubChem CID53472620
Molecular FormulaC18H10F3NO3S
Molecular Weight377.34 g/mol
Exact Mass377.03
IUPAC Name8-hydroxy-9-[3-hydroxy-5-(trifluoromethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one
SMILESO=c1[nH]c2ccc(O)c(-c3cc(O)cc(C(F)(F)F)c3)c2c2ccsc12
InChIInChI=1S/C18H10F3NO3S/c19-18(20,21)9-5-8(6-10(23)7-9)14-13(24)2-1-12-15(14)11-3-4-26-16(11)17(25)22-12/h1-7,23-24H,(H,22,25)
InChIKeyJTORDYUXYKYKMZ-UHFFFAOYSA-N
XLogP4.84
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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
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
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
9-(3-fluoro-4-hydroxyphenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 53472576
9-(3,4-difluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 53472579
9-(4-fluoro-3-hydroxyphenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 53472619

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-9-[3-hydroxy-5-(trifluoromethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 8-hydroxy-9-[3-hydroxy-5-(trifluoromethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one (CID 53472620) is 8-hydroxy-9-[3-hydroxy-5-(trifluoromethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 8-hydroxy-9-[3-hydroxy-5-(trifluoromethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 8-hydroxy-9-[3-hydroxy-5-(trifluoromethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one is O=c1[nH]c2ccc(O)c(-c3cc(O)cc(C(F)(F)F)c3)c2c2ccsc12.
What is the InChIKey of 8-hydroxy-9-[3-hydroxy-5-(trifluoromethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is JTORDYUXYKYKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3NO3S/c19-18(20,21)9-5-8(6-10(23)7-9)14-13(24)2-1-12-15(14)11-3-4-26-16(11)17(25)22-12/h1-7,23-24H,(H,22,25).
What are the key properties of 8-hydroxy-9-[3-hydroxy-5-(trifluoromethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one?
8-hydroxy-9-[3-hydroxy-5-(trifluoromethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 377.34 g/mol, XLogP of 4.84, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-9-[3-hydroxy-5-(trifluoromethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 53472620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).