6-(butylsulfamoyl)-N-propyl-2-pyridin-3-ylquinoline-4-carboxamide

C22H26N4O3S — CID 4642298

IUPAC6-(butylsulfamoyl)-N-propyl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)NCCC)c2c1
InChIInChI=1S/C22H26N4O3S/c1-3-5-12-25-30(28,29)17-8-9-20-18(13-17)19(22(27)24-10-4-2)14-21(26-20)16-7-6-11-23-15-16/h6-9,11,13-15,25H,3-5,10,12H2,1-2H3,(H,24,27)
InChIKeyCOWBMUCUHWRRNA-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.52
Rot. Bonds9

About 6-(butylsulfamoyl)-N-propyl-2-pyridin-3-ylquinoline-4-carboxamide

6-(butylsulfamoyl)-N-propyl-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 4642298) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 6-(butylsulfamoyl)-N-propyl-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-(butylsulfamoyl)-N-propyl-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID4642298
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name6-(butylsulfamoyl)-N-propyl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)NCCC)c2c1
InChIInChI=1S/C22H26N4O3S/c1-3-5-12-25-30(28,29)17-8-9-20-18(13-17)19(22(27)24-10-4-2)14-21(26-20)16-7-6-11-23-15-16/h6-9,11,13-15,25H,3-5,10,12H2,1-2H3,(H,24,27)
InChIKeyCOWBMUCUHWRRNA-UHFFFAOYSA-N
XLogP3.52
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(butylsulfamoyl)-N-propyl-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 6-(butylsulfamoyl)-N-propyl-2-pyridin-3-ylquinoline-4-carboxamide (CID 4642298) is 6-(butylsulfamoyl)-N-propyl-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-(butylsulfamoyl)-N-propyl-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 6-(butylsulfamoyl)-N-propyl-2-pyridin-3-ylquinoline-4-carboxamide is CCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)NCCC)c2c1.
What is the InChIKey of 6-(butylsulfamoyl)-N-propyl-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is COWBMUCUHWRRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-3-5-12-25-30(28,29)17-8-9-20-18(13-17)19(22(27)24-10-4-2)14-21(26-20)16-7-6-11-23-15-16/h6-9,11,13-15,25H,3-5,10,12H2,1-2H3,(H,24,27).
What are the key properties of 6-(butylsulfamoyl)-N-propyl-2-pyridin-3-ylquinoline-4-carboxamide?
6-(butylsulfamoyl)-N-propyl-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylsulfamoyl)-N-propyl-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 4642298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).