4-[3-(4-methyl-3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline

C24H18F3NO3S — CID 25101685

IUPAC4-[3-(4-methyl-3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline
SMILESCc1ccc(Oc2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)cc1S(C)(=O)=O
InChIInChI=1S/C24H18F3NO3S/c1-15-9-10-18(14-22(15)32(2,29)30)31-17-6-3-5-16(13-17)19-11-12-28-23-20(19)7-4-8-21(23)24(25,26)27/h3-14H,1-2H3
InChIKeyVNKGDDXILDCQBZ-UHFFFAOYSA-N
MW457.47 g/mol
LogP6.42
Rot. Bonds4

About 4-[3-(4-methyl-3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline

4-[3-(4-methyl-3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline (PubChem CID 25101685) has the molecular formula C24H18F3NO3S and a molecular weight of 457.47 g/mol. Its IUPAC name is 4-[3-(4-methyl-3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-[3-(4-methyl-3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline
PubChem CID25101685
Molecular FormulaC24H18F3NO3S
Molecular Weight457.47 g/mol
Exact Mass457.10
IUPAC Name4-[3-(4-methyl-3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline
SMILESCc1ccc(Oc2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)cc1S(C)(=O)=O
InChIInChI=1S/C24H18F3NO3S/c1-15-9-10-18(14-22(15)32(2,29)30)31-17-6-3-5-16(13-17)19-11-12-28-23-20(19)7-4-8-21(23)24(25,26)27/h3-14H,1-2H3
InChIKeyVNKGDDXILDCQBZ-UHFFFAOYSA-N
XLogP6.42
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.47
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-(4-methyl-3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline 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 4-[3-(4-methyl-3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-[3-(4-methyl-3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline (CID 25101685) is 4-[3-(4-methyl-3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-[3-(4-methyl-3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-[3-(4-methyl-3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline is Cc1ccc(Oc2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)cc1S(C)(=O)=O.
What is the InChIKey of 4-[3-(4-methyl-3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline?
The InChIKey is VNKGDDXILDCQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3NO3S/c1-15-9-10-18(14-22(15)32(2,29)30)31-17-6-3-5-16(13-17)19-11-12-28-23-20(19)7-4-8-21(23)24(25,26)27/h3-14H,1-2H3.
What are the key properties of 4-[3-(4-methyl-3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline?
4-[3-(4-methyl-3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline has a molecular weight of 457.47 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methyl-3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 25101685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).