4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide

C20H19F3N2O3S — CID 78889333

IUPAC4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide
SMILESO=C1CCc2cc(OCCCC(=O)Nc3ccccc3SC(F)(F)F)ccc2N1
InChIInChI=1S/C20H19F3N2O3S/c21-20(22,23)29-17-5-2-1-4-16(17)25-18(26)6-3-11-28-14-8-9-15-13(12-14)7-10-19(27)24-15/h1-2,4-5,8-9,12H,3,6-7,10-11H2,(H,24,27)(H,25,26)
InChIKeyLELDHCWPBMEPJJ-UHFFFAOYSA-N
MW424.44 g/mol
LogP4.98
Rot. Bonds7

About 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide

4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide (PubChem CID 78889333) has the molecular formula C20H19F3N2O3S and a molecular weight of 424.44 g/mol. Its IUPAC name is 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide.

Molecular Properties

Compound Name4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide
PubChem CID78889333
Molecular FormulaC20H19F3N2O3S
Molecular Weight424.44 g/mol
Exact Mass424.11
IUPAC Name4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide
SMILESO=C1CCc2cc(OCCCC(=O)Nc3ccccc3SC(F)(F)F)ccc2N1
InChIInChI=1S/C20H19F3N2O3S/c21-20(22,23)29-17-5-2-1-4-16(17)25-18(26)6-3-11-28-14-8-9-15-13(12-14)7-10-19(27)24-15/h1-2,4-5,8-9,12H,3,6-7,10-11H2,(H,24,27)(H,25,26)
InChIKeyLELDHCWPBMEPJJ-UHFFFAOYSA-N
XLogP4.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
N-(5-amino-2-methylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 120568933
N-[(1R)-2-hydroxy-1-phenylethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 97254517
N-(2-cyclopentylsulfanylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 32560697
5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pentanehydrazide
CID 63576665
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55596379
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
CID 119199653
3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
CID 119221434
N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 119501892
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]butanamide
CID 55970686
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)butanamide
CID 112816940

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide?
The IUPAC name of 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide (CID 78889333) is 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide.
What is the SMILES notation for 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide?
The canonical SMILES for 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide is O=C1CCc2cc(OCCCC(=O)Nc3ccccc3SC(F)(F)F)ccc2N1.
What is the InChIKey of 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide?
The InChIKey is LELDHCWPBMEPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3S/c21-20(22,23)29-17-5-2-1-4-16(17)25-18(26)6-3-11-28-14-8-9-15-13(12-14)7-10-19(27)24-15/h1-2,4-5,8-9,12H,3,6-7,10-11H2,(H,24,27)(H,25,26).
What are the key properties of 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide?
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide has a molecular weight of 424.44 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide is sourced from PubChem (CID 78889333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).