1-[4-[5-quinolin-2-yl-4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]ethanone

C28H18F3NOS — CID 166448443

IUPAC1-[4-[5-quinolin-2-yl-4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc4ccccc4n3)s2)cc1
InChIInChI=1S/C28H18F3NOS/c1-17(33)18-6-8-21(9-7-18)26-16-23(19-10-13-22(14-11-19)28(29,30)31)27(34-26)25-15-12-20-4-2-3-5-24(20)32-25/h2-16H,1H3
InChIKeyNANRZHIBDZPSQH-UHFFFAOYSA-N
MW473.52 g/mol
LogP8.52
Rot. Bonds4

About 1-[4-[5-quinolin-2-yl-4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]ethanone

1-[4-[5-quinolin-2-yl-4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]ethanone (PubChem CID 166448443) has the molecular formula C28H18F3NOS and a molecular weight of 473.52 g/mol. Its IUPAC name is 1-[4-[5-quinolin-2-yl-4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[5-quinolin-2-yl-4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]ethanone
PubChem CID166448443
Molecular FormulaC28H18F3NOS
Molecular Weight473.52 g/mol
Exact Mass473.11
IUPAC Name1-[4-[5-quinolin-2-yl-4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc4ccccc4n3)s2)cc1
InChIInChI=1S/C28H18F3NOS/c1-17(33)18-6-8-21(9-7-18)26-16-23(19-10-13-22(14-11-19)28(29,30)31)27(34-26)25-15-12-20-4-2-3-5-24(20)32-25/h2-16H,1H3
InChIKeyNANRZHIBDZPSQH-UHFFFAOYSA-N
XLogP8.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.52
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[5-quinolin-2-yl-4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-quinolin-2-yl-4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[5-quinolin-2-yl-4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]ethanone (CID 166448443) is 1-[4-[5-quinolin-2-yl-4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[5-quinolin-2-yl-4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[5-quinolin-2-yl-4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]ethanone is CC(=O)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc4ccccc4n3)s2)cc1.
What is the InChIKey of 1-[4-[5-quinolin-2-yl-4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]ethanone?
The InChIKey is NANRZHIBDZPSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18F3NOS/c1-17(33)18-6-8-21(9-7-18)26-16-23(19-10-13-22(14-11-19)28(29,30)31)27(34-26)25-15-12-20-4-2-3-5-24(20)32-25/h2-16H,1H3.
What are the key properties of 1-[4-[5-quinolin-2-yl-4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]ethanone?
1-[4-[5-quinolin-2-yl-4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]ethanone has a molecular weight of 473.52 g/mol, XLogP of 8.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-quinolin-2-yl-4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]ethanone is sourced from PubChem (CID 166448443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).