6-(diethylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide

C22H25N5O6S — CID 41275498

IUPAC6-(diethylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCNc3ccccc3[N+](=O)[O-])c2c1
InChIInChI=1S/C22H25N5O6S/c1-3-26(4-2)34(32,33)15-9-10-18-16(13-15)17(14-21(28)25-18)22(29)24-12-11-23-19-7-5-6-8-20(19)27(30)31/h5-10,13-14,23H,3-4,11-12H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyQJSXLTKEJILHOG-UHFFFAOYSA-N
MW487.54 g/mol
LogP2.31
Rot. Bonds10

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

6-(diethylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 41275498) has the molecular formula C22H25N5O6S and a molecular weight of 487.54 g/mol. Its IUPAC name is 6-(diethylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-(diethylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID41275498
Molecular FormulaC22H25N5O6S
Molecular Weight487.54 g/mol
Exact Mass487.15
IUPAC Name6-(diethylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCNc3ccccc3[N+](=O)[O-])c2c1
InChIInChI=1S/C22H25N5O6S/c1-3-26(4-2)34(32,33)15-9-10-18-16(13-15)17(14-21(28)25-18)22(29)24-12-11-23-19-7-5-6-8-20(19)27(30)31/h5-10,13-14,23H,3-4,11-12H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyQJSXLTKEJILHOG-UHFFFAOYSA-N
XLogP2.31
TPSA154.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119384301
6-(diethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 41365118
6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 120829777
N-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 39211941
N-[2-(cyclohexen-1-yl)ethyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 27666353
N-cyclohexyl-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7872467
2-methyl-5-(methylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]benzamide
CID 55489558
6-[butyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 4096895
6-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42907174
6-(diethylsulfamoyl)-N-[3-(methoxymethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 32638443
6-(diethylsulfamoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 56547532
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(2-nitroanilino)propanamide
CID 16962406

Frequently Asked Questions

What is the IUPAC name of 6-(diethylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of 6-(diethylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide (CID 41275498) is 6-(diethylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-(diethylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-(diethylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCNc3ccccc3[N+](=O)[O-])c2c1.
What is the InChIKey of 6-(diethylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is QJSXLTKEJILHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O6S/c1-3-26(4-2)34(32,33)15-9-10-18-16(13-15)17(14-21(28)25-18)22(29)24-12-11-23-19-7-5-6-8-20(19)27(30)31/h5-10,13-14,23H,3-4,11-12H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of 6-(diethylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
6-(diethylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 487.54 g/mol, XLogP of 2.31, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 41275498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).