2-(4-methoxyphenyl)sulfanyl-8-methyl-4-(trifluoromethyl)quinoline

C18H14F3NOS — CID 1477272

IUPAC2-(4-methoxyphenyl)sulfanyl-8-methyl-4-(trifluoromethyl)quinoline
SMILESCOc1ccc(Sc2cc(C(F)(F)F)c3cccc(C)c3n2)cc1
InChIInChI=1S/C18H14F3NOS/c1-11-4-3-5-14-15(18(19,20)21)10-16(22-17(11)14)24-13-8-6-12(23-2)7-9-13/h3-10H,1-2H3
InChIKeyHAAOEIGNYAAYTP-UHFFFAOYSA-N
MW349.38 g/mol
LogP5.72
Rot. Bonds3

About 2-(4-methoxyphenyl)sulfanyl-8-methyl-4-(trifluoromethyl)quinoline

2-(4-methoxyphenyl)sulfanyl-8-methyl-4-(trifluoromethyl)quinoline (PubChem CID 1477272) has the molecular formula C18H14F3NOS and a molecular weight of 349.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-8-methyl-4-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-8-methyl-4-(trifluoromethyl)quinoline
PubChem CID1477272
Molecular FormulaC18H14F3NOS
Molecular Weight349.38 g/mol
Exact Mass349.07
IUPAC Name2-(4-methoxyphenyl)sulfanyl-8-methyl-4-(trifluoromethyl)quinoline
SMILESCOc1ccc(Sc2cc(C(F)(F)F)c3cccc(C)c3n2)cc1
InChIInChI=1S/C18H14F3NOS/c1-11-4-3-5-14-15(18(19,20)21)10-16(22-17(11)14)24-13-8-6-12(23-2)7-9-13/h3-10H,1-2H3
InChIKeyHAAOEIGNYAAYTP-UHFFFAOYSA-N
XLogP5.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.38
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-8-methyl-4-(trifluoromethyl)quinoline?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-8-methyl-4-(trifluoromethyl)quinoline (CID 1477272) is 2-(4-methoxyphenyl)sulfanyl-8-methyl-4-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-8-methyl-4-(trifluoromethyl)quinoline?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-8-methyl-4-(trifluoromethyl)quinoline is COc1ccc(Sc2cc(C(F)(F)F)c3cccc(C)c3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-8-methyl-4-(trifluoromethyl)quinoline?
The InChIKey is HAAOEIGNYAAYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NOS/c1-11-4-3-5-14-15(18(19,20)21)10-16(22-17(11)14)24-13-8-6-12(23-2)7-9-13/h3-10H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-8-methyl-4-(trifluoromethyl)quinoline?
2-(4-methoxyphenyl)sulfanyl-8-methyl-4-(trifluoromethyl)quinoline has a molecular weight of 349.38 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-8-methyl-4-(trifluoromethyl)quinoline is sourced from PubChem (CID 1477272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).