6-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide

C24H29FN4O4S — CID 42907174

IUPAC6-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCC(c3cccc(F)c3)N(C)C)c2c1
InChIInChI=1S/C24H29FN4O4S/c1-5-29(6-2)34(32,33)18-10-11-21-19(13-18)20(14-23(30)27-21)24(31)26-15-22(28(3)4)16-8-7-9-17(25)12-16/h7-14,22H,5-6,15H2,1-4H3,(H,26,31)(H,27,30)
InChIKeyUCEADEOBUKIIMB-UHFFFAOYSA-N
MW488.59 g/mol
LogP2.73
Rot. Bonds9

About 6-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide

6-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 42907174) has the molecular formula C24H29FN4O4S and a molecular weight of 488.59 g/mol. Its IUPAC name is 6-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID42907174
Molecular FormulaC24H29FN4O4S
Molecular Weight488.59 g/mol
Exact Mass488.19
IUPAC Name6-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCC(c3cccc(F)c3)N(C)C)c2c1
InChIInChI=1S/C24H29FN4O4S/c1-5-29(6-2)34(32,33)18-10-11-21-19(13-18)20(14-23(30)27-21)24(31)26-15-22(28(3)4)16-8-7-9-17(25)12-16/h7-14,22H,5-6,15H2,1-4H3,(H,26,31)(H,27,30)
InChIKeyUCEADEOBUKIIMB-UHFFFAOYSA-N
XLogP2.73
TPSA102.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2-aminoethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119384301
N-[2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42893716
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 27230253
N-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 39211941
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 51186700
6-(diethylsulfamoyl)-N-[3-(methoxymethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 32638443
6-(diethylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 41275498
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51186638
N-cyclohexyl-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7872467
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438

Frequently Asked Questions

What is the IUPAC name of 6-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of 6-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide (CID 42907174) is 6-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCC(c3cccc(F)c3)N(C)C)c2c1.
What is the InChIKey of 6-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is UCEADEOBUKIIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O4S/c1-5-29(6-2)34(32,33)18-10-11-21-19(13-18)20(14-23(30)27-21)24(31)26-15-22(28(3)4)16-8-7-9-17(25)12-16/h7-14,22H,5-6,15H2,1-4H3,(H,26,31)(H,27,30).
What are the key properties of 6-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
6-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 42907174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).