6-(dimethylsulfamoyl)-2-(3-methoxyphenyl)quinoline-4-carboxylic acid

C19H18N2O5S — CID 3889769

IUPAC6-(dimethylsulfamoyl)-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
SMILESCOc1cccc(-c2cc(C(=O)O)c3cc(S(=O)(=O)N(C)C)ccc3n2)c1
InChIInChI=1S/C19H18N2O5S/c1-21(2)27(24,25)14-7-8-17-15(10-14)16(19(22)23)11-18(20-17)12-5-4-6-13(9-12)26-3/h4-11H,1-3H3,(H,22,23)
InChIKeyNNRWVZUSHHAXKY-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.86
Rot. Bonds5

About 6-(dimethylsulfamoyl)-2-(3-methoxyphenyl)quinoline-4-carboxylic acid

6-(dimethylsulfamoyl)-2-(3-methoxyphenyl)quinoline-4-carboxylic acid (PubChem CID 3889769) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is 6-(dimethylsulfamoyl)-2-(3-methoxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-(dimethylsulfamoyl)-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
PubChem CID3889769
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Name6-(dimethylsulfamoyl)-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
SMILESCOc1cccc(-c2cc(C(=O)O)c3cc(S(=O)(=O)N(C)C)ccc3n2)c1
InChIInChI=1S/C19H18N2O5S/c1-21(2)27(24,25)14-7-8-17-15(10-14)16(19(22)23)11-18(20-17)12-5-4-6-13(9-12)26-3/h4-11H,1-3H3,(H,22,23)
InChIKeyNNRWVZUSHHAXKY-UHFFFAOYSA-N
XLogP2.86
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(dimethylsulfamoyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
CID 4645947
6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
CID 18073446
2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4744706
6-(dimethylsulfamoyl)-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 3374925
6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate
CID 5103273
6-ethyl-2-(3-methoxyphenyl)quinoline-4-carbonyl chloride
CID 46779788
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 42750037
6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid
CID 842809
[6-bromo-2-(3-methoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 2965405
[2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 896066
3-[4-(dimethylsulfamoyl)phenyl]-5-methoxybenzoic acid
CID 53228822
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylsulfamoyl)-2-(3-methoxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-(dimethylsulfamoyl)-2-(3-methoxyphenyl)quinoline-4-carboxylic acid (CID 3889769) is 6-(dimethylsulfamoyl)-2-(3-methoxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-(dimethylsulfamoyl)-2-(3-methoxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-(dimethylsulfamoyl)-2-(3-methoxyphenyl)quinoline-4-carboxylic acid is COc1cccc(-c2cc(C(=O)O)c3cc(S(=O)(=O)N(C)C)ccc3n2)c1.
What is the InChIKey of 6-(dimethylsulfamoyl)-2-(3-methoxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is NNRWVZUSHHAXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-21(2)27(24,25)14-7-8-17-15(10-14)16(19(22)23)11-18(20-17)12-5-4-6-13(9-12)26-3/h4-11H,1-3H3,(H,22,23).
What are the key properties of 6-(dimethylsulfamoyl)-2-(3-methoxyphenyl)quinoline-4-carboxylic acid?
6-(dimethylsulfamoyl)-2-(3-methoxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 386.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylsulfamoyl)-2-(3-methoxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 3889769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).