9-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]thieno[2,3-c]quinolin-8-ol

C19H12F3NO2S — CID 141424166

IUPAC9-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]thieno[2,3-c]quinolin-8-ol
SMILESOc1ccc2ncc3sccc3c2c1-c1ccc(C(O)C(F)(F)F)cc1
InChIInChI=1S/C19H12F3NO2S/c20-19(21,22)18(25)11-3-1-10(2-4-11)16-14(24)6-5-13-17(16)12-7-8-26-15(12)9-23-13/h1-9,18,24-25H
InChIKeyCGOHFMSSHHCPRF-UHFFFAOYSA-N
MW375.37 g/mol
LogP5.42
Rot. Bonds2

About 9-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]thieno[2,3-c]quinolin-8-ol

9-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]thieno[2,3-c]quinolin-8-ol (PubChem CID 141424166) has the molecular formula C19H12F3NO2S and a molecular weight of 375.37 g/mol. Its IUPAC name is 9-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]thieno[2,3-c]quinolin-8-ol.

Molecular Properties

Compound Name9-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]thieno[2,3-c]quinolin-8-ol
PubChem CID141424166
Molecular FormulaC19H12F3NO2S
Molecular Weight375.37 g/mol
Exact Mass375.05
IUPAC Name9-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]thieno[2,3-c]quinolin-8-ol
SMILESOc1ccc2ncc3sccc3c2c1-c1ccc(C(O)C(F)(F)F)cc1
InChIInChI=1S/C19H12F3NO2S/c20-19(21,22)18(25)11-3-1-10(2-4-11)16-14(24)6-5-13-17(16)12-7-8-26-15(12)9-23-13/h1-9,18,24-25H
InChIKeyCGOHFMSSHHCPRF-UHFFFAOYSA-N
XLogP5.42
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.37
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[(1R)-1-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol
CID 141424153
9-[4-(2-aminopropyl)phenyl]thieno[2,3-c]quinolin-8-ol
CID 71245154
9-[4-[(1R)-1-aminoethyl]phenyl]-6-ethenylthieno[2,3-c]quinolin-8-ol
CID 141424068
9-[4-[(1S)-1-aminoethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol
CID 141424138
9-[4-(1-aminobutan-2-yl)phenyl]-6-methylthieno[2,3-c]quinolin-8-ol
CID 141424217
6-chloro-9-[4-[(1S)-1-(methylamino)propyl]phenyl]thieno[2,3-c]quinolin-8-ol
CID 141424064
(1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol
CID 129388575
4-[4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenol
CID 11021882
thieno[3,2-b]pyridin-6-yl-[4-(trifluoromethyl)phenyl]methanol
CID 81154217
6-chloro-9-[4-[2-(methylamino)ethyl]phenyl]thieno[2,3-c]quinolin-8-ol
CID 141424204
2-[4-(8-methoxythieno[2,3-c]quinolin-9-yl)pyrazol-1-yl]ethanamine
CID 141424185
9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67448290

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]thieno[2,3-c]quinolin-8-ol?
The IUPAC name of 9-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]thieno[2,3-c]quinolin-8-ol (CID 141424166) is 9-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]thieno[2,3-c]quinolin-8-ol.
What is the SMILES notation for 9-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]thieno[2,3-c]quinolin-8-ol?
The canonical SMILES for 9-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]thieno[2,3-c]quinolin-8-ol is Oc1ccc2ncc3sccc3c2c1-c1ccc(C(O)C(F)(F)F)cc1.
What is the InChIKey of 9-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]thieno[2,3-c]quinolin-8-ol?
The InChIKey is CGOHFMSSHHCPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3NO2S/c20-19(21,22)18(25)11-3-1-10(2-4-11)16-14(24)6-5-13-17(16)12-7-8-26-15(12)9-23-13/h1-9,18,24-25H.
What are the key properties of 9-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]thieno[2,3-c]quinolin-8-ol?
9-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]thieno[2,3-c]quinolin-8-ol has a molecular weight of 375.37 g/mol, XLogP of 5.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]thieno[2,3-c]quinolin-8-ol is sourced from PubChem (CID 141424166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).