1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone

C17H15F3N2OS — CID 24900633

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
SMILESO=C(CSc1ccc(C(F)(F)F)cn1)N1CCCc2ccccc21
InChIInChI=1S/C17H15F3N2OS/c18-17(19,20)13-7-8-15(21-10-13)24-11-16(23)22-9-3-5-12-4-1-2-6-14(12)22/h1-2,4,6-8,10H,3,5,9,11H2
InChIKeyMLUNKIGCWNPKQH-UHFFFAOYSA-N
MW352.38 g/mol
LogP4.17
Rot. Bonds3

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone (PubChem CID 24900633) has the molecular formula C17H15F3N2OS and a molecular weight of 352.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
PubChem CID24900633
Molecular FormulaC17H15F3N2OS
Molecular Weight352.38 g/mol
Exact Mass352.09
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
SMILESO=C(CSc1ccc(C(F)(F)F)cn1)N1CCCc2ccccc21
InChIInChI=1S/C17H15F3N2OS/c18-17(19,20)13-7-8-15(21-10-13)24-11-16(23)22-9-3-5-12-4-1-2-6-14(12)22/h1-2,4,6-8,10H,3,5,9,11H2
InChIKeyMLUNKIGCWNPKQH-UHFFFAOYSA-N
XLogP4.17
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone with MolForge

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Related Compounds

ST4014630
CID 684061
1-(2,3-Dihydroindol-1-yl)-2-pyridin-2-ylsulfanylethanone
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N-(4-phenylbutan-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 5060029
4-[(pyridin-2-ylthio)methyl]quinolin-2(1H)-one
CID 713898
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone
CID 2341018
N-naphthalen-1-yl-2-pyridin-2-ylsulfanylacetamide
CID 2169373
1-Methyl-6-[5-[[3-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]pyridin-3-yl]-3,4-dihydroquinolin-2-one
CID 78320231
1-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)-1H-pyrido[2,3-b][1,4]thiazin-2(3H)-one
CID 3236627
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CID 5307179
1-[4-(4-benzylpiperazino)-4-oxobutyl]-1H-pyrido[2,3-b][1,4]thiazin-2(3H)-one
CID 5307854
2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone (CID 24900633) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone is O=C(CSc1ccc(C(F)(F)F)cn1)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone?
The InChIKey is MLUNKIGCWNPKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2OS/c18-17(19,20)13-7-8-15(21-10-13)24-11-16(23)22-9-3-5-12-4-1-2-6-14(12)22/h1-2,4,6-8,10H,3,5,9,11H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone has a molecular weight of 352.38 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone is sourced from PubChem (CID 24900633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).