8-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide

C19H20N4O4S — CID 69119423

IUPAC8-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3c(S(=O)(=O)N(C)C)cccc23)c1
InChIInChI=1S/C19H20N4O4S/c1-23(2)28(25,26)16-9-5-8-14-17(15(19(20)24)11-21-18(14)16)22-12-6-4-7-13(10-12)27-3/h4-11H,1-3H3,(H2,20,24)(H,21,22)
InChIKeyQGNTYPURRAWJSN-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.34
Rot. Bonds6

About 8-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide

8-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide (PubChem CID 69119423) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 8-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide.

Molecular Properties

Compound Name8-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide
PubChem CID69119423
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name8-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3c(S(=O)(=O)N(C)C)cccc23)c1
InChIInChI=1S/C19H20N4O4S/c1-23(2)28(25,26)16-9-5-8-14-17(15(19(20)24)11-21-18(14)16)22-12-6-4-7-13(10-12)27-3/h4-11H,1-3H3,(H2,20,24)(H,21,22)
InChIKeyQGNTYPURRAWJSN-UHFFFAOYSA-N
XLogP2.34
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-(1-acetylpiperidin-4-yl)sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide
CID 69252977
4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11269155
4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide
CID 11225327
4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 11437948
6-(2-acetamidoethylsulfonyl)-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide
CID 11363067
4-(3-methoxyanilino)-8-methyl-6-[3-(methylcarbamoyl)phenyl]sulfonylquinoline-3-carboxamide
CID 91970465
6-[3-(dimethylcarbamoyl)phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide;2,2,2-trifluoroacetic acid
CID 71576691
4-(3-methoxyanilino)-8-methyl-6-[3-(methylaminomethyl)phenyl]sulfanylquinoline-3-carboxamide
CID 123709132
6-[[5-(dimethylcarbamoyl)-3-pyridinyl]sulfinyl]-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide;hydrochloride
CID 67423812
4-(3-methoxyanilino)-8-methyl-6-[3-(piperazine-1-carbonyl)phenyl]sulfonylquinoline-3-carboxamide
CID 66988311
4-(3-ethylanilino)-7-methoxyquinoline-3-carboxamide
CID 174510815
4-(3-fluoroanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide
CID 11271250

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide?
The IUPAC name of 8-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide (CID 69119423) is 8-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide.
What is the SMILES notation for 8-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide?
The canonical SMILES for 8-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide is COc1cccc(Nc2c(C(N)=O)cnc3c(S(=O)(=O)N(C)C)cccc23)c1.
What is the InChIKey of 8-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide?
The InChIKey is QGNTYPURRAWJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-23(2)28(25,26)16-9-5-8-14-17(15(19(20)24)11-21-18(14)16)22-12-6-4-7-13(10-12)27-3/h4-11H,1-3H3,(H2,20,24)(H,21,22).
What are the key properties of 8-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide?
8-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide is sourced from PubChem (CID 69119423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).