methyl 3-[(1,3-dimethyl-2-oxoquinolin-6-yl)sulfamoyl]-4-methoxybenzoate

C20H20N2O6S — CID 162675084

IUPACmethyl 3-[(1,3-dimethyl-2-oxoquinolin-6-yl)sulfamoyl]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)cc(C)c(=O)n3C)c1
InChIInChI=1S/C20H20N2O6S/c1-12-9-14-10-15(6-7-16(14)22(2)19(12)23)21-29(25,26)18-11-13(20(24)28-4)5-8-17(18)27-3/h5-11,21H,1-4H3
InChIKeyIPYLIOSTXNSINK-UHFFFAOYSA-N
MW416.46 g/mol
LogP2.44
Rot. Bonds5

About methyl 3-[(1,3-dimethyl-2-oxoquinolin-6-yl)sulfamoyl]-4-methoxybenzoate

methyl 3-[(1,3-dimethyl-2-oxoquinolin-6-yl)sulfamoyl]-4-methoxybenzoate (PubChem CID 162675084) has the molecular formula C20H20N2O6S and a molecular weight of 416.46 g/mol. Its IUPAC name is methyl 3-[(1,3-dimethyl-2-oxoquinolin-6-yl)sulfamoyl]-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-[(1,3-dimethyl-2-oxoquinolin-6-yl)sulfamoyl]-4-methoxybenzoate
PubChem CID162675084
Molecular FormulaC20H20N2O6S
Molecular Weight416.46 g/mol
Exact Mass416.10
IUPAC Namemethyl 3-[(1,3-dimethyl-2-oxoquinolin-6-yl)sulfamoyl]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)cc(C)c(=O)n3C)c1
InChIInChI=1S/C20H20N2O6S/c1-12-9-14-10-15(6-7-16(14)22(2)19(12)23)21-29(25,26)18-11-13(20(24)28-4)5-8-17(18)27-3/h5-11,21H,1-4H3
InChIKeyIPYLIOSTXNSINK-UHFFFAOYSA-N
XLogP2.44
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-({3-[(Diethylamino)sulfonyl]-4-methoxybenzoyl}amino)benzoic acid
CID 1521222
4-Methoxy-3-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzoic acid
CID 2385964
Erap2-IN-1
CID 85470736
4-Methoxy-3-[(4-piperidin-1-ylphenyl)sulfamoyl]benzoic acid
CID 2386064
Ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate
CID 2513657
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 4405929
4-Methoxy-3-(N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)sulfamoyl)benzoic acid
CID 4798291
2-[4-[[1-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-7-carbonyl]amino]phenyl]acetic acid
CID 24825719
N-(1,3-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)-2-methoxybenzene-1-sulfonamide
CID 71271926
Diethylsulfonamide Derivative, 13g
CID 11751717
4-methoxy-N-(3-methylphenyl)-3-(morpholin-4-ylsulfonyl)benzamide
CID 1216502
3-[(4-Methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1310240

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1,3-dimethyl-2-oxoquinolin-6-yl)sulfamoyl]-4-methoxybenzoate?
The IUPAC name of methyl 3-[(1,3-dimethyl-2-oxoquinolin-6-yl)sulfamoyl]-4-methoxybenzoate (CID 162675084) is methyl 3-[(1,3-dimethyl-2-oxoquinolin-6-yl)sulfamoyl]-4-methoxybenzoate.
What is the SMILES notation for methyl 3-[(1,3-dimethyl-2-oxoquinolin-6-yl)sulfamoyl]-4-methoxybenzoate?
The canonical SMILES for methyl 3-[(1,3-dimethyl-2-oxoquinolin-6-yl)sulfamoyl]-4-methoxybenzoate is COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)cc(C)c(=O)n3C)c1.
What is the InChIKey of methyl 3-[(1,3-dimethyl-2-oxoquinolin-6-yl)sulfamoyl]-4-methoxybenzoate?
The InChIKey is IPYLIOSTXNSINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6S/c1-12-9-14-10-15(6-7-16(14)22(2)19(12)23)21-29(25,26)18-11-13(20(24)28-4)5-8-17(18)27-3/h5-11,21H,1-4H3.
What are the key properties of methyl 3-[(1,3-dimethyl-2-oxoquinolin-6-yl)sulfamoyl]-4-methoxybenzoate?
methyl 3-[(1,3-dimethyl-2-oxoquinolin-6-yl)sulfamoyl]-4-methoxybenzoate has a molecular weight of 416.46 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1,3-dimethyl-2-oxoquinolin-6-yl)sulfamoyl]-4-methoxybenzoate is sourced from PubChem (CID 162675084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).