methyl 4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate

C25H24N2O6S — CID 1162202

IUPACmethyl 4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1
InChIInChI=1S/C25H24N2O6S/c1-16-6-7-17(2)23-22(16)13-19(24(28)26-23)14-27(15-20-5-4-12-33-20)34(30,31)21-10-8-18(9-11-21)25(29)32-3/h4-13H,14-15H2,1-3H3,(H,26,28)
InChIKeyKQYHHLXXLNLNDX-UHFFFAOYSA-N
MW480.54 g/mol
LogP3.92
Rot. Bonds7

About methyl 4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate

methyl 4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate (PubChem CID 1162202) has the molecular formula C25H24N2O6S and a molecular weight of 480.54 g/mol. Its IUPAC name is methyl 4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate
PubChem CID1162202
Molecular FormulaC25H24N2O6S
Molecular Weight480.54 g/mol
Exact Mass480.14
IUPAC Namemethyl 4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1
InChIInChI=1S/C25H24N2O6S/c1-16-6-7-17(2)23-22(16)13-19(24(28)26-23)14-27(15-20-5-4-12-33-20)34(30,31)21-10-8-18(9-11-21)25(29)32-3/h4-13H,14-15H2,1-3H3,(H,26,28)
InChIKeyKQYHHLXXLNLNDX-UHFFFAOYSA-N
XLogP3.92
TPSA109.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate with MolForge

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Related Compounds

N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 1168700
methyl 4-[furan-2-ylmethyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
CID 1146897
methyl 3-[1,3-benzodioxol-5-ylmethyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
CID 1162218
ethyl 4-[furan-2-ylmethyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]sulfamoyl]benzoate
CID 3184218
N-(furan-2-ylmethyl)-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1164892
4-acetyl-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1162247
1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(furan-2-ylmethyl)thiourea
CID 1136688
1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-ethoxypropyl)-1-(furan-2-ylmethyl)thiourea
CID 3177020
methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate
CID 95970862
4-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 1165373
1-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(furan-2-ylmethyl)thiourea
CID 1140405
N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1168773

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate?
The IUPAC name of methyl 4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate (CID 1162202) is methyl 4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1.
What is the InChIKey of methyl 4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate?
The InChIKey is KQYHHLXXLNLNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O6S/c1-16-6-7-17(2)23-22(16)13-19(24(28)26-23)14-27(15-20-5-4-12-33-20)34(30,31)21-10-8-18(9-11-21)25(29)32-3/h4-13H,14-15H2,1-3H3,(H,26,28).
What are the key properties of methyl 4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate?
methyl 4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate has a molecular weight of 480.54 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate is sourced from PubChem (CID 1162202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).