8-[3-(difluoromethoxy)phenyl]-6-[(4-methylsulfonylphenoxy)methyl]quinoline

C24H19F2NO4S — CID 46933994

IUPAC8-[3-(difluoromethoxy)phenyl]-6-[(4-methylsulfonylphenoxy)methyl]quinoline
SMILESCS(=O)(=O)c1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
InChIInChI=1S/C24H19F2NO4S/c1-32(28,29)21-9-7-19(8-10-21)30-15-16-12-18-5-3-11-27-23(18)22(13-16)17-4-2-6-20(14-17)31-24(25)26/h2-14,24H,15H2,1H3
InChIKeyFMDFPSUREAEZOZ-UHFFFAOYSA-N
MW455.48 g/mol
LogP5.49
Rot. Bonds7

About 8-[3-(difluoromethoxy)phenyl]-6-[(4-methylsulfonylphenoxy)methyl]quinoline

8-[3-(difluoromethoxy)phenyl]-6-[(4-methylsulfonylphenoxy)methyl]quinoline (PubChem CID 46933994) has the molecular formula C24H19F2NO4S and a molecular weight of 455.48 g/mol. Its IUPAC name is 8-[3-(difluoromethoxy)phenyl]-6-[(4-methylsulfonylphenoxy)methyl]quinoline.

Molecular Properties

Compound Name8-[3-(difluoromethoxy)phenyl]-6-[(4-methylsulfonylphenoxy)methyl]quinoline
PubChem CID46933994
Molecular FormulaC24H19F2NO4S
Molecular Weight455.48 g/mol
Exact Mass455.10
IUPAC Name8-[3-(difluoromethoxy)phenyl]-6-[(4-methylsulfonylphenoxy)methyl]quinoline
SMILESCS(=O)(=O)c1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
InChIInChI=1S/C24H19F2NO4S/c1-32(28,29)21-9-7-19(8-10-21)30-15-16-12-18-5-3-11-27-23(18)22(13-16)17-4-2-6-20(14-17)31-24(25)26/h2-14,24H,15H2,1H3
InChIKeyFMDFPSUREAEZOZ-UHFFFAOYSA-N
XLogP5.49
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.48
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(difluoromethoxy)phenyl]-6-[(4-methylsulfonylphenoxy)methyl]quinoline?
The IUPAC name of 8-[3-(difluoromethoxy)phenyl]-6-[(4-methylsulfonylphenoxy)methyl]quinoline (CID 46933994) is 8-[3-(difluoromethoxy)phenyl]-6-[(4-methylsulfonylphenoxy)methyl]quinoline.
What is the SMILES notation for 8-[3-(difluoromethoxy)phenyl]-6-[(4-methylsulfonylphenoxy)methyl]quinoline?
The canonical SMILES for 8-[3-(difluoromethoxy)phenyl]-6-[(4-methylsulfonylphenoxy)methyl]quinoline is CS(=O)(=O)c1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1.
What is the InChIKey of 8-[3-(difluoromethoxy)phenyl]-6-[(4-methylsulfonylphenoxy)methyl]quinoline?
The InChIKey is FMDFPSUREAEZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2NO4S/c1-32(28,29)21-9-7-19(8-10-21)30-15-16-12-18-5-3-11-27-23(18)22(13-16)17-4-2-6-20(14-17)31-24(25)26/h2-14,24H,15H2,1H3.
What are the key properties of 8-[3-(difluoromethoxy)phenyl]-6-[(4-methylsulfonylphenoxy)methyl]quinoline?
8-[3-(difluoromethoxy)phenyl]-6-[(4-methylsulfonylphenoxy)methyl]quinoline has a molecular weight of 455.48 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(difluoromethoxy)phenyl]-6-[(4-methylsulfonylphenoxy)methyl]quinoline is sourced from PubChem (CID 46933994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).