1-(4-fluorophenyl)-2-quinolin-8-ylsulfanylethanone

C17H12FNOS — CID 867626

IUPAC1-(4-fluorophenyl)-2-quinolin-8-ylsulfanylethanone
SMILESO=C(CSc1cccc2cccnc12)c1ccc(F)cc1
InChIInChI=1S/C17H12FNOS/c18-14-8-6-12(7-9-14)15(20)11-21-16-5-1-3-13-4-2-10-19-17(13)16/h1-10H,11H2
InChIKeyUFTYUXQVLAMOQK-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.35
Rot. Bonds4

About 1-(4-fluorophenyl)-2-quinolin-8-ylsulfanylethanone

1-(4-fluorophenyl)-2-quinolin-8-ylsulfanylethanone (PubChem CID 867626) has the molecular formula C17H12FNOS and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-quinolin-8-ylsulfanylethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-quinolin-8-ylsulfanylethanone
PubChem CID867626
Molecular FormulaC17H12FNOS
Molecular Weight297.35 g/mol
Exact Mass297.06
IUPAC Name1-(4-fluorophenyl)-2-quinolin-8-ylsulfanylethanone
SMILESO=C(CSc1cccc2cccnc12)c1ccc(F)cc1
InChIInChI=1S/C17H12FNOS/c18-14-8-6-12(7-9-14)15(20)11-21-16-5-1-3-13-4-2-10-19-17(13)16/h1-10H,11H2
InChIKeyUFTYUXQVLAMOQK-UHFFFAOYSA-N
XLogP4.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E)-(4-fluorophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 6880766
S-quinolin-8-yl 2-bromobenzenecarbothioate
CID 1266032
N-hydroxy-4-(quinolin-8-ylsulfanylmethyl)benzamide
CID 132145156
N-(2-fluorophenyl)-2-quinolin-8-ylsulfanylacetamide
CID 600113
Ethanone, 1-phenyl-2-(2-quinolinylthio)-
CID 264065
2-((4-Methyl-2-quinolinyl)thio)-1-phenylethanone
CID 264064
8-[(3-Methylphenyl)methylsulfanyl]quinoline
CID 1240113
1-(4-Fluorophenyl)-2-quinoxalin-2-ylthioethan-1-one
CID 2359893
2-Methyl-1-(2-oxo-2-phenylethyl)-5-[2-(phenylthio)ethyl]pyridinium bromide
CID 2894365
3-(4-Fluorophenyl)-3-(8-quinolylthio)-1-(2-thienyl)propan-1-one
CID 4090525
(2E)-3-(Quinolin-4-YL)-1-(thiophen-2-YL)prop-2-EN-1-one
CID 5739531
N-[(E)-1-cyclohexylethylideneamino]-4-(quinolin-8-ylsulfanylmethyl)benzamide
CID 9569154

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-quinolin-8-ylsulfanylethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-quinolin-8-ylsulfanylethanone (CID 867626) is 1-(4-fluorophenyl)-2-quinolin-8-ylsulfanylethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-quinolin-8-ylsulfanylethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-quinolin-8-ylsulfanylethanone is O=C(CSc1cccc2cccnc12)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-quinolin-8-ylsulfanylethanone?
The InChIKey is UFTYUXQVLAMOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNOS/c18-14-8-6-12(7-9-14)15(20)11-21-16-5-1-3-13-4-2-10-19-17(13)16/h1-10H,11H2.
What are the key properties of 1-(4-fluorophenyl)-2-quinolin-8-ylsulfanylethanone?
1-(4-fluorophenyl)-2-quinolin-8-ylsulfanylethanone has a molecular weight of 297.35 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-quinolin-8-ylsulfanylethanone is sourced from PubChem (CID 867626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).