6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide

C18H26N4O4S — CID 120829777

IUPAC6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCC(C)NC)c2c1
InChIInChI=1S/C18H26N4O4S/c1-5-22(6-2)27(25,26)13-7-8-16-14(9-13)15(10-17(23)21-16)18(24)20-11-12(3)19-4/h7-10,12,19H,5-6,11H2,1-4H3,(H,20,24)(H,21,23)
InChIKeyWEYBRWQEEMWPRZ-UHFFFAOYSA-N
MW394.50 g/mol
LogP0.90
Rot. Bonds8

About 6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide

6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 120829777) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is 6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID120829777
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCC(C)NC)c2c1
InChIInChI=1S/C18H26N4O4S/c1-5-22(6-2)27(25,26)13-7-8-16-14(9-13)15(10-17(23)21-16)18(24)20-11-12(3)19-4/h7-10,12,19H,5-6,11H2,1-4H3,(H,20,24)(H,21,23)
InChIKeyWEYBRWQEEMWPRZ-UHFFFAOYSA-N
XLogP0.90
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119384301
N-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 39211941
6-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42907174
6-bromo-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 120828627
N-cyclohexyl-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7872467
6-(diethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 41365118
N-[2-(cyclohexen-1-yl)ethyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 27666353
6-(diethylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 41275498
6-[butyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 4096895
N-[(2R)-2-(ethylamino)propyl]-6-nitro-2-oxo-1H-quinoline-4-carboxamide
CID 120651419
6-(diethylsulfamoyl)-N-[3-(methoxymethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 32638443
N-(5-chloro-2-methoxyphenyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 26095086

Frequently Asked Questions

What is the IUPAC name of 6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of 6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide (CID 120829777) is 6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCC(C)NC)c2c1.
What is the InChIKey of 6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is WEYBRWQEEMWPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-5-22(6-2)27(25,26)13-7-8-16-14(9-13)15(10-17(23)21-16)18(24)20-11-12(3)19-4/h7-10,12,19H,5-6,11H2,1-4H3,(H,20,24)(H,21,23).
What are the key properties of 6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide?
6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 0.90, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 120829777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).