N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide

C30H31FN4O3S — CID 5073082

IUPACN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1
InChIInChI=1S/C30H31FN4O3S/c1-3-35(4-2)39(37,38)23-15-16-29(34-17-7-8-18-34)28(19-23)33-30(36)25-20-27(21-11-13-22(31)14-12-21)32-26-10-6-5-9-24(25)26/h5-6,9-16,19-20H,3-4,7-8,17-18H2,1-2H3,(H,33,36)
InChIKeyGLTKPPXDFZNAFA-UHFFFAOYSA-N
MW546.67 g/mol
LogP5.92
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide

N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide (PubChem CID 5073082) has the molecular formula C30H31FN4O3S and a molecular weight of 546.67 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
PubChem CID5073082
Molecular FormulaC30H31FN4O3S
Molecular Weight546.67 g/mol
Exact Mass546.21
IUPAC NameN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1
InChIInChI=1S/C30H31FN4O3S/c1-3-35(4-2)39(37,38)23-15-16-29(34-17-7-8-18-34)28(19-23)33-30(36)25-20-27(21-11-13-22(31)14-12-21)32-26-10-6-5-9-24(25)26/h5-6,9-16,19-20H,3-4,7-8,17-18H2,1-2H3,(H,33,36)
InChIKeyGLTKPPXDFZNAFA-UHFFFAOYSA-N
XLogP5.92
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3627376
N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide;methane
CID 158402633
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(2-methoxyethoxy)benzamide
CID 55997175
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135893038
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide
CID 4171071
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4795536
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-benzofuran-2-carboxamide
CID 26880925
2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 2439803
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-1-benzothiophene-2-carboxamide
CID 16561052
5-(diethylsulfamoyl)-N-(2-ethoxyphenyl)-2-piperidin-1-ylbenzamide
CID 2540405
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
CID 7478657
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
CID 7551410

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide (CID 5073082) is N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The InChIKey is GLTKPPXDFZNAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN4O3S/c1-3-35(4-2)39(37,38)23-15-16-29(34-17-7-8-18-34)28(19-23)33-30(36)25-20-27(21-11-13-22(31)14-12-21)32-26-10-6-5-9-24(25)26/h5-6,9-16,19-20H,3-4,7-8,17-18H2,1-2H3,(H,33,36).
What are the key properties of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide?
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide has a molecular weight of 546.67 g/mol, XLogP of 5.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 5073082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).