6-(diethylsulfamoyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid

C23H22N2O6S — CID 3588833

IUPAC6-(diethylsulfamoyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(-c3cc4cccc(OC)c4o3)cc(C(=O)O)c2c1
InChIInChI=1S/C23H22N2O6S/c1-4-25(5-2)32(28,29)15-9-10-18-16(12-15)17(23(26)27)13-19(24-18)21-11-14-7-6-8-20(30-3)22(14)31-21/h6-13H,4-5H2,1-3H3,(H,26,27)
InChIKeyWUOLDESOJBZYSW-UHFFFAOYSA-N
MW454.50 g/mol
LogP4.39
Rot. Bonds7

About 6-(diethylsulfamoyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid

6-(diethylsulfamoyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid (PubChem CID 3588833) has the molecular formula C23H22N2O6S and a molecular weight of 454.50 g/mol. Its IUPAC name is 6-(diethylsulfamoyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-(diethylsulfamoyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
PubChem CID3588833
Molecular FormulaC23H22N2O6S
Molecular Weight454.50 g/mol
Exact Mass454.12
IUPAC Name6-(diethylsulfamoyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(-c3cc4cccc(OC)c4o3)cc(C(=O)O)c2c1
InChIInChI=1S/C23H22N2O6S/c1-4-25(5-2)32(28,29)15-9-10-18-16(12-15)17(23(26)27)13-19(24-18)21-11-14-7-6-8-20(30-3)22(14)31-21/h6-13H,4-5H2,1-3H3,(H,26,27)
InChIKeyWUOLDESOJBZYSW-UHFFFAOYSA-N
XLogP4.39
TPSA109.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(azepan-1-ylsulfonyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 5123475
2-(7-methoxy-1-benzofuran-2-yl)-7,8-dimethylquinoline-4-carboxylic acid
CID 3995413
6,8-dichloro-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 5028498
6-(diethylsulfamoyl)-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 5179374
6-(diethylsulfamoyl)-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid
CID 3333930
4-(dipropylsulfamoyl)-N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 18570613
5-chloro-2-(7-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4689078
6-(dimethylsulfamoyl)-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
CID 3889769
4-(diethylsulfamoyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 40957022
N-[3-(7-methoxy-1-benzofuran-2-yl)-1,2-oxazol-5-yl]benzamide
CID 71480978
5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid
CID 663444
5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-methoxybenzoic acid
CID 103101553

Frequently Asked Questions

What is the IUPAC name of 6-(diethylsulfamoyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid?
The IUPAC name of 6-(diethylsulfamoyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid (CID 3588833) is 6-(diethylsulfamoyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-(diethylsulfamoyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-(diethylsulfamoyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid is CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc4cccc(OC)c4o3)cc(C(=O)O)c2c1.
What is the InChIKey of 6-(diethylsulfamoyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid?
The InChIKey is WUOLDESOJBZYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6S/c1-4-25(5-2)32(28,29)15-9-10-18-16(12-15)17(23(26)27)13-19(24-18)21-11-14-7-6-8-20(30-3)22(14)31-21/h6-13H,4-5H2,1-3H3,(H,26,27).
What are the key properties of 6-(diethylsulfamoyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid?
6-(diethylsulfamoyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid has a molecular weight of 454.50 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylsulfamoyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 3588833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).