[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate

C19H19FN2O5S — CID 7983051

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1ccccc1F)OCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H19FN2O5S/c20-15-8-2-4-10-17(15)28(25,26)21-12-19(24)27-13-18(23)22-11-5-7-14-6-1-3-9-16(14)22/h1-4,6,8-10,21H,5,7,11-13H2
InChIKeyHIZRAIBGAOSJDT-UHFFFAOYSA-N
MW406.44 g/mol
LogP1.63
Rot. Bonds6

About [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate (PubChem CID 7983051) has the molecular formula C19H19FN2O5S and a molecular weight of 406.44 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
PubChem CID7983051
Molecular FormulaC19H19FN2O5S
Molecular Weight406.44 g/mol
Exact Mass406.10
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1ccccc1F)OCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H19FN2O5S/c20-15-8-2-4-10-17(15)28(25,26)21-12-19(24)27-13-18(23)22-11-5-7-14-6-1-3-9-16(14)22/h1-4,6,8-10,21H,5,7,11-13H2
InChIKeyHIZRAIBGAOSJDT-UHFFFAOYSA-N
XLogP1.63
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842352
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 7913053
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2499682
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-phenylacetate
CID 55319315
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-(4-fluorophenyl)butanoate
CID 60541629
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2361409
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304122
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 40691302
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate
CID 2361400
2-fluoro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448394
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 110370846

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate (CID 7983051) is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate is O=C(CNS(=O)(=O)c1ccccc1F)OCC(=O)N1CCCc2ccccc21.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate?
The InChIKey is HIZRAIBGAOSJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O5S/c20-15-8-2-4-10-17(15)28(25,26)21-12-19(24)27-13-18(23)22-11-5-7-14-6-1-3-9-16(14)22/h1-4,6,8-10,21H,5,7,11-13H2.
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate?
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate has a molecular weight of 406.44 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 7983051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).