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

C24H26N2O7S — CID 653653

IUPACmethyl 2-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)N(Cc1cc2ccc(OC)cc2[nH]c1=O)CC1CCCO1
InChIInChI=1S/C24H26N2O7S/c1-31-18-10-9-16-12-17(23(27)25-21(16)13-18)14-26(15-19-6-5-11-33-19)34(29,30)22-8-4-3-7-20(22)24(28)32-2/h3-4,7-10,12-13,19H,5-6,11,14-15H2,1-2H3,(H,25,27)
InChIKeyPNWRQMXMOCLZFM-UHFFFAOYSA-N
MW486.55 g/mol
LogP2.69
Rot. Bonds8

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

methyl 2-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)sulfamoyl]benzoate (PubChem CID 653653) has the molecular formula C24H26N2O7S and a molecular weight of 486.55 g/mol. Its IUPAC name is methyl 2-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)sulfamoyl]benzoate
PubChem CID653653
Molecular FormulaC24H26N2O7S
Molecular Weight486.55 g/mol
Exact Mass486.15
IUPAC Namemethyl 2-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)N(Cc1cc2ccc(OC)cc2[nH]c1=O)CC1CCCO1
InChIInChI=1S/C24H26N2O7S/c1-31-18-10-9-16-12-17(23(27)25-21(16)13-18)14-26(15-19-6-5-11-33-19)34(29,30)22-8-4-3-7-20(22)24(28)32-2/h3-4,7-10,12-13,19H,5-6,11,14-15H2,1-2H3,(H,25,27)
InChIKeyPNWRQMXMOCLZFM-UHFFFAOYSA-N
XLogP2.69
TPSA115.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)sulfamoyl]benzoate (CID 653653) is methyl 2-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)N(Cc1cc2ccc(OC)cc2[nH]c1=O)CC1CCCO1.
What is the InChIKey of methyl 2-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)sulfamoyl]benzoate?
The InChIKey is PNWRQMXMOCLZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O7S/c1-31-18-10-9-16-12-17(23(27)25-21(16)13-18)14-26(15-19-6-5-11-33-19)34(29,30)22-8-4-3-7-20(22)24(28)32-2/h3-4,7-10,12-13,19H,5-6,11,14-15H2,1-2H3,(H,25,27).
What are the key properties of methyl 2-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)sulfamoyl]benzoate?
methyl 2-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)sulfamoyl]benzoate has a molecular weight of 486.55 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)sulfamoyl]benzoate is sourced from PubChem (CID 653653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).