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

C19H20N4O4S — CID 11304132

IUPAC6-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3ccc(S(=O)(=O)N(C)C)cc23)c1
InChIInChI=1S/C19H20N4O4S/c1-23(2)28(25,26)14-7-8-17-15(10-14)18(16(11-21-17)19(20)24)22-12-5-4-6-13(9-12)27-3/h4-11H,1-3H3,(H2,20,24)(H,21,22)
InChIKeyWKVXXUZTBQURHS-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.34
Rot. Bonds6

About 6-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide

6-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide (PubChem CID 11304132) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 6-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide
PubChem CID11304132
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name6-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3ccc(S(=O)(=O)N(C)C)cc23)c1
InChIInChI=1S/C19H20N4O4S/c1-23(2)28(25,26)14-7-8-17-15(10-14)18(16(11-21-17)19(20)24)22-12-5-4-6-13(9-12)27-3/h4-11H,1-3H3,(H2,20,24)(H,21,22)
InChIKeyWKVXXUZTBQURHS-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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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide?
The IUPAC name of 6-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide (CID 11304132) is 6-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide.
What is the SMILES notation for 6-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide?
The canonical SMILES for 6-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide is COc1cccc(Nc2c(C(N)=O)cnc3ccc(S(=O)(=O)N(C)C)cc23)c1.
What is the InChIKey of 6-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide?
The InChIKey is WKVXXUZTBQURHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-23(2)28(25,26)14-7-8-17-15(10-14)18(16(11-21-17)19(20)24)22-12-5-4-6-13(9-12)27-3/h4-11H,1-3H3,(H2,20,24)(H,21,22).
What are the key properties of 6-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide?
6-(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 6-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide is sourced from PubChem (CID 11304132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).