methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate

C25H24N2O6S — CID 1161828

IUPACmethyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate
SMILESCCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3ccccc3C(=O)OC)cc2c1
InChIInChI=1S/C25H24N2O6S/c1-3-17-10-11-22-18(13-17)14-19(24(28)26-22)15-27(16-20-7-6-12-33-20)34(30,31)23-9-5-4-8-21(23)25(29)32-2/h4-14H,3,15-16H2,1-2H3,(H,26,28)
InChIKeyQMPLWGYXRWJVDP-UHFFFAOYSA-N
MW480.54 g/mol
LogP3.86
Rot. Bonds8

About methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate

methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate (PubChem CID 1161828) has the molecular formula C25H24N2O6S and a molecular weight of 480.54 g/mol. Its IUPAC name is methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate
PubChem CID1161828
Molecular FormulaC25H24N2O6S
Molecular Weight480.54 g/mol
Exact Mass480.14
IUPAC Namemethyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate
SMILESCCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3ccccc3C(=O)OC)cc2c1
InChIInChI=1S/C25H24N2O6S/c1-3-17-10-11-22-18(13-17)14-19(24(28)26-22)15-27(16-20-7-6-12-33-20)34(30,31)23-9-5-4-8-21(23)25(29)32-2/h4-14H,3,15-16H2,1-2H3,(H,26,28)
InChIKeyQMPLWGYXRWJVDP-UHFFFAOYSA-N
XLogP3.86
TPSA109.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate with MolForge

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Related Compounds

methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate
CID 1161875
methyl 2-[(4-fluorophenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
CID 3183872
N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 1453577
N-(furan-2-ylmethyl)-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1164892
methyl 4-[furan-2-ylmethyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
CID 1146897
ethyl 3-[furan-2-ylmethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
CID 1164906
1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(1-phenylethyl)thiourea
CID 3170294
3-(3-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea
CID 1430408
methyl 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoate
CID 1162000
3-[3-(dimethylamino)propyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)thiourea
CID 3170299
ethyl 4-[furan-2-ylmethyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]sulfamoyl]benzoate
CID 3184218
4-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 1165373

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate (CID 1161828) is methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate is CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3ccccc3C(=O)OC)cc2c1.
What is the InChIKey of methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate?
The InChIKey is QMPLWGYXRWJVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O6S/c1-3-17-10-11-22-18(13-17)14-19(24(28)26-22)15-27(16-20-7-6-12-33-20)34(30,31)23-9-5-4-8-21(23)25(29)32-2/h4-14H,3,15-16H2,1-2H3,(H,26,28).
What are the key properties of methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate?
methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate has a molecular weight of 480.54 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate is sourced from PubChem (CID 1161828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).