N-butyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide

C19H27N3O4S — CID 20859084

IUPACN-butyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCCCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(CC)CC)cc2c1=O
InChIInChI=1S/C19H27N3O4S/c1-5-8-11-20-19(24)16-13-21(4)17-10-9-14(12-15(17)18(16)23)27(25,26)22(6-2)7-3/h9-10,12-13H,5-8,11H2,1-4H3,(H,20,24)
InChIKeyDNIQUTOMVPDAHE-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.10
Rot. Bonds8

About N-butyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide

N-butyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 20859084) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-butyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
PubChem CID20859084
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-butyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCCCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(CC)CC)cc2c1=O
InChIInChI=1S/C19H27N3O4S/c1-5-8-11-20-19(24)16-13-21(4)17-10-9-14(12-15(17)18(16)23)27(25,26)22(6-2)7-3/h9-10,12-13H,5-8,11H2,1-4H3,(H,20,24)
InChIKeyDNIQUTOMVPDAHE-UHFFFAOYSA-N
XLogP2.10
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859070
N-cycloheptyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859069
6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide
CID 20859076
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 46255088
6-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dipropylamino)propyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859177
5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid
CID 663444
6-[cyclohexyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 5307488
N-[2-[bis(2-methylpropyl)amino]ethyl]-6-(diethylsulfamoyl)-4-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 46255153
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 3237700
N-[2-(diethylamino)ethyl]-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 5308234
N-butyl-6-(diethylsulfamoyl)-N-methyl-4-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 20859403
1-methyl-N-[2-(4-methylphenyl)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 20859099

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-butyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide (CID 20859084) is N-butyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-butyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-butyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide is CCCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(CC)CC)cc2c1=O.
What is the InChIKey of N-butyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is DNIQUTOMVPDAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-5-8-11-20-19(24)16-13-21(4)17-10-9-14(12-15(17)18(16)23)27(25,26)22(6-2)7-3/h9-10,12-13H,5-8,11H2,1-4H3,(H,20,24).
What are the key properties of N-butyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide?
N-butyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 20859084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).