[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(benzylsulfamoyl)-4-methylbenzoate

C26H24N2O6S — CID 55380299

IUPAC[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(benzylsulfamoyl)-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)c2ccc3c(c2)CCC(=O)N3)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C26H24N2O6S/c1-17-7-8-21(14-24(17)35(32,33)27-15-18-5-3-2-4-6-18)26(31)34-16-23(29)20-9-11-22-19(13-20)10-12-25(30)28-22/h2-9,11,13-14,27H,10,12,15-16H2,1H3,(H,28,30)
InChIKeyQRTRZFNPTPWACG-UHFFFAOYSA-N
MW492.55 g/mol
LogP3.40
Rot. Bonds8

About [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(benzylsulfamoyl)-4-methylbenzoate

[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(benzylsulfamoyl)-4-methylbenzoate (PubChem CID 55380299) has the molecular formula C26H24N2O6S and a molecular weight of 492.55 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(benzylsulfamoyl)-4-methylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(benzylsulfamoyl)-4-methylbenzoate
PubChem CID55380299
Molecular FormulaC26H24N2O6S
Molecular Weight492.55 g/mol
Exact Mass492.14
IUPAC Name[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(benzylsulfamoyl)-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)c2ccc3c(c2)CCC(=O)N3)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C26H24N2O6S/c1-17-7-8-21(14-24(17)35(32,33)27-15-18-5-3-2-4-6-18)26(31)34-16-23(29)20-9-11-22-19(13-20)10-12-25(30)28-22/h2-9,11,13-14,27H,10,12,15-16H2,1H3,(H,28,30)
InChIKeyQRTRZFNPTPWACG-UHFFFAOYSA-N
XLogP3.40
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(benzylsulfamoyl)-4-methylbenzoate with MolForge

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Related Compounds

[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-(acetamidomethyl)benzoate
CID 46818941
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 55499851
[2-(3,4-dimethylphenyl)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 25038980
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(2-phenylacetyl)amino]acetate
CID 55365962
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 55705125
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-ethoxy-4-methoxybenzoate
CID 9484719
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3,4-dimethylphenoxy)acetate
CID 55366724
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-methyl-1-benzothiophene-2-carboxylate
CID 8666581
[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101136
[2-(2-chlorophenyl)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 2383122
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-[ethyl(methyl)amino]benzoate
CID 71884386
[2-(4-methylphenyl)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 25047077

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(benzylsulfamoyl)-4-methylbenzoate?
The IUPAC name of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(benzylsulfamoyl)-4-methylbenzoate (CID 55380299) is [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(benzylsulfamoyl)-4-methylbenzoate.
What is the SMILES notation for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(benzylsulfamoyl)-4-methylbenzoate?
The canonical SMILES for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(benzylsulfamoyl)-4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)c2ccc3c(c2)CCC(=O)N3)cc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(benzylsulfamoyl)-4-methylbenzoate?
The InChIKey is QRTRZFNPTPWACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6S/c1-17-7-8-21(14-24(17)35(32,33)27-15-18-5-3-2-4-6-18)26(31)34-16-23(29)20-9-11-22-19(13-20)10-12-25(30)28-22/h2-9,11,13-14,27H,10,12,15-16H2,1H3,(H,28,30).
What are the key properties of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(benzylsulfamoyl)-4-methylbenzoate?
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(benzylsulfamoyl)-4-methylbenzoate has a molecular weight of 492.55 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(benzylsulfamoyl)-4-methylbenzoate is sourced from PubChem (CID 55380299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).