[4-phenyl-2-(trifluoromethyl)quinolin-3-yl]-thiophen-2-ylmethanone

C21H12F3NOS — CID 16655274

IUPAC[4-phenyl-2-(trifluoromethyl)quinolin-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1c(C(F)(F)F)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C21H12F3NOS/c22-21(23,24)20-18(19(26)16-11-6-12-27-16)17(13-7-2-1-3-8-13)14-9-4-5-10-15(14)25-20/h1-12H
InChIKeyWSQRYNFQMYZZNH-UHFFFAOYSA-N
MW383.39 g/mol
LogP6.21
Rot. Bonds3

About [4-phenyl-2-(trifluoromethyl)quinolin-3-yl]-thiophen-2-ylmethanone

[4-phenyl-2-(trifluoromethyl)quinolin-3-yl]-thiophen-2-ylmethanone (PubChem CID 16655274) has the molecular formula C21H12F3NOS and a molecular weight of 383.39 g/mol. Its IUPAC name is [4-phenyl-2-(trifluoromethyl)quinolin-3-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-phenyl-2-(trifluoromethyl)quinolin-3-yl]-thiophen-2-ylmethanone
PubChem CID16655274
Molecular FormulaC21H12F3NOS
Molecular Weight383.39 g/mol
Exact Mass383.06
IUPAC Name[4-phenyl-2-(trifluoromethyl)quinolin-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1c(C(F)(F)F)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C21H12F3NOS/c22-21(23,24)20-18(19(26)16-11-6-12-27-16)17(13-7-2-1-3-8-13)14-9-4-5-10-15(14)25-20/h1-12H
InChIKeyWSQRYNFQMYZZNH-UHFFFAOYSA-N
XLogP6.21
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.39
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-phenyl-2-(trifluoromethyl)quinolin-3-yl]-thiophen-2-ylmethanone 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

(3-Ethyl-2-thiophen-3-yl-quinolin-6-yl)-(4-methoxy-cyclohexyl)-methanone
CID 11474450
Ethanone, 1-phenyl-2-(2-quinolinylthio)-
CID 264065
N-(2,4-dimethylphenyl)-2-(2-thienyl)-4-quinolinecarboxamide
CID 998563
2-((4-Methyl-2-quinolinyl)thio)-1-phenylethanone
CID 264064
2-(6-Phenanthridinylthio)-1-phenylethanone
CID 264067
2-[(4-Methyl-2-quinolinyl)thio]-1-(2-thienyl)ethanone
CID 975240
2-[(4-Methylbenzyl)sulfanyl]-3-quinolinecarbaldehyde
CID 1481622
3-methyl-2-phenyl-N-(2-thienylmethyl)-4-quinolinecarboxamide
CID 2168482
3-(4-Fluorophenyl)-3-(8-quinolylthio)-1-(2-thienyl)propan-1-one
CID 4090525
2-phenyl-N-(thien-2-ylmethyl)quinoline-4-carboxamide
CID 4298041
2-[(3-Fluoropropyl)sulfanyl]-3-quinolinecarbaldehyde
CID 4594149
(2E)-3-(Quinolin-4-YL)-1-(thiophen-2-YL)prop-2-EN-1-one
CID 5739531

Frequently Asked Questions

What is the IUPAC name of [4-phenyl-2-(trifluoromethyl)quinolin-3-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-phenyl-2-(trifluoromethyl)quinolin-3-yl]-thiophen-2-ylmethanone (CID 16655274) is [4-phenyl-2-(trifluoromethyl)quinolin-3-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-phenyl-2-(trifluoromethyl)quinolin-3-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-phenyl-2-(trifluoromethyl)quinolin-3-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)c1c(C(F)(F)F)nc2ccccc2c1-c1ccccc1.
What is the InChIKey of [4-phenyl-2-(trifluoromethyl)quinolin-3-yl]-thiophen-2-ylmethanone?
The InChIKey is WSQRYNFQMYZZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F3NOS/c22-21(23,24)20-18(19(26)16-11-6-12-27-16)17(13-7-2-1-3-8-13)14-9-4-5-10-15(14)25-20/h1-12H.
What are the key properties of [4-phenyl-2-(trifluoromethyl)quinolin-3-yl]-thiophen-2-ylmethanone?
[4-phenyl-2-(trifluoromethyl)quinolin-3-yl]-thiophen-2-ylmethanone has a molecular weight of 383.39 g/mol, XLogP of 6.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-phenyl-2-(trifluoromethyl)quinolin-3-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 16655274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).