[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate

C23H27FN2O5S — CID 46668209

IUPAC[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)N2c3ccccc3CCC2C)c1
InChIInChI=1S/C23H27FN2O5S/c1-4-25(5-2)32(29,30)18-12-13-20(24)19(14-18)23(28)31-15-22(27)26-16(3)10-11-17-8-6-7-9-21(17)26/h6-9,12-14,16H,4-5,10-11,15H2,1-3H3
InChIKeyIHYHGJXCCUWROK-UHFFFAOYSA-N
MW462.54 g/mol
LogP3.38
Rot. Bonds7

About [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate

[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate (PubChem CID 46668209) has the molecular formula C23H27FN2O5S and a molecular weight of 462.54 g/mol. Its IUPAC name is [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate.

Molecular Properties

Compound Name[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate
PubChem CID46668209
Molecular FormulaC23H27FN2O5S
Molecular Weight462.54 g/mol
Exact Mass462.16
IUPAC Name[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)N2c3ccccc3CCC2C)c1
InChIInChI=1S/C23H27FN2O5S/c1-4-25(5-2)32(29,30)18-12-13-20(24)19(14-18)23(28)31-15-22(27)26-16(3)10-11-17-8-6-7-9-21(17)26/h6-9,12-14,16H,4-5,10-11,15H2,1-3H3
InChIKeyIHYHGJXCCUWROK-UHFFFAOYSA-N
XLogP3.38
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate with MolForge

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Related Compounds

[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 7803545
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619953
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-fluorobenzoate
CID 18776805
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18127121
N-cyclopropyl-5-(diethylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide
CID 55864349
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] furan-3-carboxylate
CID 46670667
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-bromo-3,5-dimethoxybenzoate
CID 55481488
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4790362
N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 55592330
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 8625969
pyridin-2-ylmethyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 25311392
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 7366038

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate?
The IUPAC name of [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate (CID 46668209) is [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate.
What is the SMILES notation for [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate?
The canonical SMILES for [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)N2c3ccccc3CCC2C)c1.
What is the InChIKey of [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate?
The InChIKey is IHYHGJXCCUWROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O5S/c1-4-25(5-2)32(29,30)18-12-13-20(24)19(14-18)23(28)31-15-22(27)26-16(3)10-11-17-8-6-7-9-21(17)26/h6-9,12-14,16H,4-5,10-11,15H2,1-3H3.
What are the key properties of [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate?
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate has a molecular weight of 462.54 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate is sourced from PubChem (CID 46668209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).