5-(4-fluorophenyl)sulfanyl-4-quinolin-8-ylpentanamide

C20H19FN2OS — CID 91171647

IUPAC5-(4-fluorophenyl)sulfanyl-4-quinolin-8-ylpentanamide
SMILESNC(=O)CCC(CSc1ccc(F)cc1)c1cccc2cccnc12
InChIInChI=1S/C20H19FN2OS/c21-16-7-9-17(10-8-16)25-13-15(6-11-19(22)24)18-5-1-3-14-4-2-12-23-20(14)18/h1-5,7-10,12,15H,6,11,13H2,(H2,22,24)
InChIKeyOMMDSLRGEGEKBN-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.52
Rot. Bonds7

About 5-(4-fluorophenyl)sulfanyl-4-quinolin-8-ylpentanamide

5-(4-fluorophenyl)sulfanyl-4-quinolin-8-ylpentanamide (PubChem CID 91171647) has the molecular formula C20H19FN2OS and a molecular weight of 354.45 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfanyl-4-quinolin-8-ylpentanamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfanyl-4-quinolin-8-ylpentanamide
PubChem CID91171647
Molecular FormulaC20H19FN2OS
Molecular Weight354.45 g/mol
Exact Mass354.12
IUPAC Name5-(4-fluorophenyl)sulfanyl-4-quinolin-8-ylpentanamide
SMILESNC(=O)CCC(CSc1ccc(F)cc1)c1cccc2cccnc12
InChIInChI=1S/C20H19FN2OS/c21-16-7-9-17(10-8-16)25-13-15(6-11-19(22)24)18-5-1-3-14-4-2-12-23-20(14)18/h1-5,7-10,12,15H,6,11,13H2,(H2,22,24)
InChIKeyOMMDSLRGEGEKBN-UHFFFAOYSA-N
XLogP4.52
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)sulfanyl-1-quinolin-8-ylethanamine
CID 81229127
2-(4-fluorophenyl)-1-quinolin-8-ylethanol
CID 63969152
[(4-fluorophenyl)-quinolin-8-ylmethyl]hydrazine
CID 105192623
3-amino-3-quinolin-8-ylpropanoic acid
CID 53441937
ethyl 2-fluoro-2-quinolin-8-ylacetate
CID 81224221
methyl 4-amino-3-quinolin-8-ylbutanoate
CID 66098918
2-(4-fluorophenyl)sulfanyl-1-quinolin-6-ylethanamine
CID 81229129
2-(3-chlorophenyl)sulfanyl-1-quinolin-8-ylethanamine
CID 81229147
1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 66070761
2-(3-fluorophenyl)-1-quinolin-8-ylethanol
CID 63969349
1-S,2-S-diquinolin-8-yl ethanebis(thioate)
CID 2318009
3-(4-fluorophenyl)sulfanyl-1,10-phenanthroline
CID 166805531

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)sulfanyl-4-quinolin-8-ylpentanamide?
The IUPAC name of 5-(4-fluorophenyl)sulfanyl-4-quinolin-8-ylpentanamide (CID 91171647) is 5-(4-fluorophenyl)sulfanyl-4-quinolin-8-ylpentanamide.
What is the SMILES notation for 5-(4-fluorophenyl)sulfanyl-4-quinolin-8-ylpentanamide?
The canonical SMILES for 5-(4-fluorophenyl)sulfanyl-4-quinolin-8-ylpentanamide is NC(=O)CCC(CSc1ccc(F)cc1)c1cccc2cccnc12.
What is the InChIKey of 5-(4-fluorophenyl)sulfanyl-4-quinolin-8-ylpentanamide?
The InChIKey is OMMDSLRGEGEKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2OS/c21-16-7-9-17(10-8-16)25-13-15(6-11-19(22)24)18-5-1-3-14-4-2-12-23-20(14)18/h1-5,7-10,12,15H,6,11,13H2,(H2,22,24).
What are the key properties of 5-(4-fluorophenyl)sulfanyl-4-quinolin-8-ylpentanamide?
5-(4-fluorophenyl)sulfanyl-4-quinolin-8-ylpentanamide has a molecular weight of 354.45 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfanyl-4-quinolin-8-ylpentanamide is sourced from PubChem (CID 91171647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).