methyl 3-[furan-2-ylmethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate

C24H22N2O7S — CID 649640

IUPACmethyl 3-[furan-2-ylmethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3ccc(OC)cc3[nH]c2=O)c1
InChIInChI=1S/C24H22N2O7S/c1-31-19-9-8-16-11-18(23(27)25-22(16)13-19)14-26(15-20-6-4-10-33-20)34(29,30)21-7-3-5-17(12-21)24(28)32-2/h3-13H,14-15H2,1-2H3,(H,25,27)
InChIKeyPGVMPOWHVIJEHW-UHFFFAOYSA-N
MW482.51 g/mol
LogP3.31
Rot. Bonds8

About methyl 3-[furan-2-ylmethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate

methyl 3-[furan-2-ylmethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate (PubChem CID 649640) has the molecular formula C24H22N2O7S and a molecular weight of 482.51 g/mol. Its IUPAC name is methyl 3-[furan-2-ylmethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[furan-2-ylmethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
PubChem CID649640
Molecular FormulaC24H22N2O7S
Molecular Weight482.51 g/mol
Exact Mass482.11
IUPAC Namemethyl 3-[furan-2-ylmethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3ccc(OC)cc3[nH]c2=O)c1
InChIInChI=1S/C24H22N2O7S/c1-31-19-9-8-16-11-18(23(27)25-22(16)13-19)14-26(15-20-6-4-10-33-20)34(29,30)21-7-3-5-17(12-21)24(28)32-2/h3-13H,14-15H2,1-2H3,(H,25,27)
InChIKeyPGVMPOWHVIJEHW-UHFFFAOYSA-N
XLogP3.31
TPSA118.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[furan-2-ylmethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate?
The IUPAC name of methyl 3-[furan-2-ylmethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate (CID 649640) is methyl 3-[furan-2-ylmethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[furan-2-ylmethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 3-[furan-2-ylmethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate is COC(=O)c1cccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3ccc(OC)cc3[nH]c2=O)c1.
What is the InChIKey of methyl 3-[furan-2-ylmethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate?
The InChIKey is PGVMPOWHVIJEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O7S/c1-31-19-9-8-16-11-18(23(27)25-22(16)13-19)14-26(15-20-6-4-10-33-20)34(29,30)21-7-3-5-17(12-21)24(28)32-2/h3-13H,14-15H2,1-2H3,(H,25,27).
What are the key properties of methyl 3-[furan-2-ylmethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate?
methyl 3-[furan-2-ylmethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate has a molecular weight of 482.51 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[furan-2-ylmethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate is sourced from PubChem (CID 649640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).