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

C22H26N4O4S — CID 3509286

IUPAC6-(butylsulfamoyl)-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)NCCOC)c2c1
InChIInChI=1S/C22H26N4O4S/c1-3-4-10-25-31(28,29)17-7-8-20-18(13-17)19(22(27)24-11-12-30-2)14-21(26-20)16-6-5-9-23-15-16/h5-9,13-15,25H,3-4,10-12H2,1-2H3,(H,24,27)
InChIKeyUMGMJFWCOXGSSM-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.75
Rot. Bonds10

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

6-(butylsulfamoyl)-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 3509286) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is 6-(butylsulfamoyl)-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-(butylsulfamoyl)-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID3509286
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC Name6-(butylsulfamoyl)-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)NCCOC)c2c1
InChIInChI=1S/C22H26N4O4S/c1-3-4-10-25-31(28,29)17-7-8-20-18(13-17)19(22(27)24-11-12-30-2)14-21(26-20)16-6-5-9-23-15-16/h5-9,13-15,25H,3-4,10-12H2,1-2H3,(H,24,27)
InChIKeyUMGMJFWCOXGSSM-UHFFFAOYSA-N
XLogP2.75
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 6-(butylsulfamoyl)-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide (CID 3509286) is 6-(butylsulfamoyl)-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-(butylsulfamoyl)-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 6-(butylsulfamoyl)-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide is CCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)NCCOC)c2c1.
What is the InChIKey of 6-(butylsulfamoyl)-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is UMGMJFWCOXGSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-3-4-10-25-31(28,29)17-7-8-20-18(13-17)19(22(27)24-11-12-30-2)14-21(26-20)16-6-5-9-23-15-16/h5-9,13-15,25H,3-4,10-12H2,1-2H3,(H,24,27).
What are the key properties of 6-(butylsulfamoyl)-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide?
6-(butylsulfamoyl)-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 2.75, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylsulfamoyl)-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 3509286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).