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

C22H24N4O3S — CID 3509287

IUPAC6-(butylsulfamoyl)-N-cyclopropyl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)NC3CC3)c2c1
InChIInChI=1S/C22H24N4O3S/c1-2-3-11-24-30(28,29)17-8-9-20-18(12-17)19(22(27)25-16-6-7-16)13-21(26-20)15-5-4-10-23-14-15/h4-5,8-10,12-14,16,24H,2-3,6-7,11H2,1H3,(H,25,27)
InChIKeyBYYJGYJCTBMNOB-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.27
Rot. Bonds8

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

6-(butylsulfamoyl)-N-cyclopropyl-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 3509287) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 6-(butylsulfamoyl)-N-cyclopropyl-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-(butylsulfamoyl)-N-cyclopropyl-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID3509287
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name6-(butylsulfamoyl)-N-cyclopropyl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)NC3CC3)c2c1
InChIInChI=1S/C22H24N4O3S/c1-2-3-11-24-30(28,29)17-8-9-20-18(12-17)19(22(27)25-16-6-7-16)13-21(26-20)15-5-4-10-23-14-15/h4-5,8-10,12-14,16,24H,2-3,6-7,11H2,1H3,(H,25,27)
InChIKeyBYYJGYJCTBMNOB-UHFFFAOYSA-N
XLogP3.27
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.27
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-cyclopropyl-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 6-(butylsulfamoyl)-N-cyclopropyl-2-pyridin-3-ylquinoline-4-carboxamide (CID 3509287) is 6-(butylsulfamoyl)-N-cyclopropyl-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-(butylsulfamoyl)-N-cyclopropyl-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 6-(butylsulfamoyl)-N-cyclopropyl-2-pyridin-3-ylquinoline-4-carboxamide is CCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)NC3CC3)c2c1.
What is the InChIKey of 6-(butylsulfamoyl)-N-cyclopropyl-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is BYYJGYJCTBMNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-2-3-11-24-30(28,29)17-8-9-20-18(12-17)19(22(27)25-16-6-7-16)13-21(26-20)15-5-4-10-23-14-15/h4-5,8-10,12-14,16,24H,2-3,6-7,11H2,1H3,(H,25,27).
What are the key properties of 6-(butylsulfamoyl)-N-cyclopropyl-2-pyridin-3-ylquinoline-4-carboxamide?
6-(butylsulfamoyl)-N-cyclopropyl-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylsulfamoyl)-N-cyclopropyl-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 3509287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).