6-methoxy-2-phenyl-3-phenylsulfanyl-4-(trifluoromethyl)quinoline

C23H16F3NOS — CID 24808407

IUPAC6-methoxy-2-phenyl-3-phenylsulfanyl-4-(trifluoromethyl)quinoline
SMILESCOc1ccc2nc(-c3ccccc3)c(Sc3ccccc3)c(C(F)(F)F)c2c1
InChIInChI=1S/C23H16F3NOS/c1-28-16-12-13-19-18(14-16)20(23(24,25)26)22(29-17-10-6-3-7-11-17)21(27-19)15-8-4-2-5-9-15/h2-14H,1H3
InChIKeyWYKSVJDDFHRFCB-UHFFFAOYSA-N
MW411.45 g/mol
LogP7.08
Rot. Bonds4

About 6-methoxy-2-phenyl-3-phenylsulfanyl-4-(trifluoromethyl)quinoline

6-methoxy-2-phenyl-3-phenylsulfanyl-4-(trifluoromethyl)quinoline (PubChem CID 24808407) has the molecular formula C23H16F3NOS and a molecular weight of 411.45 g/mol. Its IUPAC name is 6-methoxy-2-phenyl-3-phenylsulfanyl-4-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name6-methoxy-2-phenyl-3-phenylsulfanyl-4-(trifluoromethyl)quinoline
PubChem CID24808407
Molecular FormulaC23H16F3NOS
Molecular Weight411.45 g/mol
Exact Mass411.09
IUPAC Name6-methoxy-2-phenyl-3-phenylsulfanyl-4-(trifluoromethyl)quinoline
SMILESCOc1ccc2nc(-c3ccccc3)c(Sc3ccccc3)c(C(F)(F)F)c2c1
InChIInChI=1S/C23H16F3NOS/c1-28-16-12-13-19-18(14-16)20(23(24,25)26)22(29-17-10-6-3-7-11-17)21(27-19)15-8-4-2-5-9-15/h2-14H,1H3
InChIKeyWYKSVJDDFHRFCB-UHFFFAOYSA-N
XLogP7.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.45
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-Methoxytacrine
CID 119053
Ethanamine, N,N-dimethyl-2-((3-(2-methoxyphenyl)-2-quinolinyl)thio)-, monohydrochloride
CID 3069816
6-Methoxyquinaldine
CID 70648
7-(3-Methoxyphenyl)-2-methylquinoline
CID 44432660
4-[1-(4-Methoxyphenyl)ethenyl]-2-methylquinoline
CID 91971313
Quinolinium, 1-ethyl-2-(ethylthio)-6-methoxy-, iodide (1:1)
CID 114298
3-(2,7-Dimethoxyacridin-9-ylthio)propan-1-amine
CID 53390843
9-Ethenylsulfonyl-2,7-dimethoxyacridine
CID 395402
6-Methoxy-2-methylthioquinoline-3-carbonitrile
CID 865458
3-[(6-Methoxy-4-methyl-2-quinolinyl)thio]propanoic acid
CID 939671
Ethyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylbutanoate
CID 3168484
2-(2-Methyl-6-propoxy-3-propyl-quinolin-4-yl)-isothiourea
CID 16682433

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-phenyl-3-phenylsulfanyl-4-(trifluoromethyl)quinoline?
The IUPAC name of 6-methoxy-2-phenyl-3-phenylsulfanyl-4-(trifluoromethyl)quinoline (CID 24808407) is 6-methoxy-2-phenyl-3-phenylsulfanyl-4-(trifluoromethyl)quinoline.
What is the SMILES notation for 6-methoxy-2-phenyl-3-phenylsulfanyl-4-(trifluoromethyl)quinoline?
The canonical SMILES for 6-methoxy-2-phenyl-3-phenylsulfanyl-4-(trifluoromethyl)quinoline is COc1ccc2nc(-c3ccccc3)c(Sc3ccccc3)c(C(F)(F)F)c2c1.
What is the InChIKey of 6-methoxy-2-phenyl-3-phenylsulfanyl-4-(trifluoromethyl)quinoline?
The InChIKey is WYKSVJDDFHRFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3NOS/c1-28-16-12-13-19-18(14-16)20(23(24,25)26)22(29-17-10-6-3-7-11-17)21(27-19)15-8-4-2-5-9-15/h2-14H,1H3.
What are the key properties of 6-methoxy-2-phenyl-3-phenylsulfanyl-4-(trifluoromethyl)quinoline?
6-methoxy-2-phenyl-3-phenylsulfanyl-4-(trifluoromethyl)quinoline has a molecular weight of 411.45 g/mol, XLogP of 7.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-phenyl-3-phenylsulfanyl-4-(trifluoromethyl)quinoline is sourced from PubChem (CID 24808407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).