4-[3-(3-prop-1-enylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline

C25H18F3NO2S — CID 154136730

IUPAC4-[3-(3-prop-1-enylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline
SMILESCC=CS(=O)(=O)c1cccc(-c2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)c1
InChIInChI=1S/C25H18F3NO2S/c1-2-14-32(30,31)20-9-4-7-18(16-20)17-6-3-8-19(15-17)21-12-13-29-24-22(21)10-5-11-23(24)25(26,27)28/h2-16H,1H3
InChIKeyMTEPPZCJICSDAP-UHFFFAOYSA-N
MW453.49 g/mol
LogP6.89
Rot. Bonds4

About 4-[3-(3-prop-1-enylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline

4-[3-(3-prop-1-enylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline (PubChem CID 154136730) has the molecular formula C25H18F3NO2S and a molecular weight of 453.49 g/mol. Its IUPAC name is 4-[3-(3-prop-1-enylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-[3-(3-prop-1-enylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline
PubChem CID154136730
Molecular FormulaC25H18F3NO2S
Molecular Weight453.49 g/mol
Exact Mass453.10
IUPAC Name4-[3-(3-prop-1-enylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline
SMILESCC=CS(=O)(=O)c1cccc(-c2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)c1
InChIInChI=1S/C25H18F3NO2S/c1-2-14-32(30,31)20-9-4-7-18(16-20)17-6-3-8-19(15-17)21-12-13-29-24-22(21)10-5-11-23(24)25(26,27)28/h2-16H,1H3
InChIKeyMTEPPZCJICSDAP-UHFFFAOYSA-N
XLogP6.89
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.49
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(3-chloro-4-prop-1-enylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline
CID 68939544
N-propan-2-yl-3-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]benzenesulfonamide
CID 68875904
4-[4-(3-methylsulfonylphenyl)-2-pyridinyl]-8-(trifluoromethyl)quinoline
CID 68877332
3-[3-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]phenyl]sulfonylbutan-1-amine
CID 91282827
4-[3-(4-fluoro-3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline
CID 46887891
4-(3-nitrophenyl)-8-(trifluoromethyl)quinoline
CID 174518716
[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl] 3-methylsulfonylbenzoate
CID 56597856
N-ethyl-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
CID 174518869
4-[3-(4-methyl-3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline
CID 25101685
methane;4-[3-(3-piperidin-4-ylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline
CID 143659754
3-[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]benzenesulfonamide
CID 68879538
2-methyl-4-[3-(3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinazoline
CID 25262704

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-prop-1-enylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-[3-(3-prop-1-enylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline (CID 154136730) is 4-[3-(3-prop-1-enylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-[3-(3-prop-1-enylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-[3-(3-prop-1-enylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline is CC=CS(=O)(=O)c1cccc(-c2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)c1.
What is the InChIKey of 4-[3-(3-prop-1-enylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline?
The InChIKey is MTEPPZCJICSDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3NO2S/c1-2-14-32(30,31)20-9-4-7-18(16-20)17-6-3-8-19(15-17)21-12-13-29-24-22(21)10-5-11-23(24)25(26,27)28/h2-16H,1H3.
What are the key properties of 4-[3-(3-prop-1-enylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline?
4-[3-(3-prop-1-enylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline has a molecular weight of 453.49 g/mol, XLogP of 6.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-prop-1-enylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 154136730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).