N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide

C24H22N4O3S — CID 21227643

IUPACN-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C24H22N4O3S/c1-2-13-26-32(30,31)19-9-7-18(8-10-19)27-24(29)21-16-23(17-11-14-25-15-12-17)28-22-6-4-3-5-20(21)22/h3-12,14-16,26H,2,13H2,1H3,(H,27,29)
InChIKeyGSRFYJRSOVHTBV-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.24
Rot. Bonds7

About N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide

N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 21227643) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID21227643
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C24H22N4O3S/c1-2-13-26-32(30,31)19-9-7-18(8-10-19)27-24(29)21-16-23(17-11-14-25-15-12-17)28-22-6-4-3-5-20(21)22/h3-12,14-16,26H,2,13H2,1H3,(H,27,29)
InChIKeyGSRFYJRSOVHTBV-UHFFFAOYSA-N
XLogP4.24
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-4-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 25469665
methane;N-[4-(methylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
CID 160607746
2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 1292635
N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 1358755
N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide;methane
CID 158402633
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26289344
N-(9-ethylcarbazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2330776
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 2422470
2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 2439803
N-[2-oxo-2-(propylamino)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 41492842
N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 1261334

Frequently Asked Questions

What is the IUPAC name of N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 21227643) is N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide is CCCNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1.
What is the InChIKey of N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is GSRFYJRSOVHTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-2-13-26-32(30,31)19-9-7-18(8-10-19)27-24(29)21-16-23(17-11-14-25-15-12-17)28-22-6-4-3-5-20(21)22/h3-12,14-16,26H,2,13H2,1H3,(H,27,29).
What are the key properties of N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 21227643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).