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

C23H28N4O4S — CID 4642300

IUPAC6-(butylsulfamoyl)-N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)NCCCOC)c2c1
InChIInChI=1S/C23H28N4O4S/c1-3-4-12-26-32(29,30)18-8-9-21-19(14-18)20(23(28)25-11-6-13-31-2)15-22(27-21)17-7-5-10-24-16-17/h5,7-10,14-16,26H,3-4,6,11-13H2,1-2H3,(H,25,28)
InChIKeyKVDVVSHPSVPFFU-UHFFFAOYSA-N
MW456.57 g/mol
LogP3.14
Rot. Bonds11

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

6-(butylsulfamoyl)-N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 4642300) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is 6-(butylsulfamoyl)-N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-(butylsulfamoyl)-N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID4642300
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC Name6-(butylsulfamoyl)-N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)NCCCOC)c2c1
InChIInChI=1S/C23H28N4O4S/c1-3-4-12-26-32(29,30)18-8-9-21-19(14-18)20(23(28)25-11-6-13-31-2)15-22(27-21)17-7-5-10-24-16-17/h5,7-10,14-16,26H,3-4,6,11-13H2,1-2H3,(H,25,28)
InChIKeyKVDVVSHPSVPFFU-UHFFFAOYSA-N
XLogP3.14
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 53.14
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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Related Compounds

N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 27682804
N-butyl-6-fluoro-2-phenylquinoline-4-carboxamide
CID 42750116
6-(butylsulfamoyl)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 98366221
N-[3-(cyclopropylmethoxy)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 31850217
N-[2-(4-methylphenoxy)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 24681313
6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798366
6-(butylsulfamoyl)-N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 4194882
N-[3-(3-methylpiperidin-1-yl)propyl]-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53204657
N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4795719
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
methyl 2-[(6-propan-2-yl-2-pyridin-3-ylquinoline-4-carbonyl)amino]acetate
CID 39351435
1-(2-methoxyethyl)-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea
CID 24819782

Frequently Asked Questions

What is the IUPAC name of 6-(butylsulfamoyl)-N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 6-(butylsulfamoyl)-N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide (CID 4642300) is 6-(butylsulfamoyl)-N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-(butylsulfamoyl)-N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 6-(butylsulfamoyl)-N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide is CCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)NCCCOC)c2c1.
What is the InChIKey of 6-(butylsulfamoyl)-N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is KVDVVSHPSVPFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-3-4-12-26-32(29,30)18-8-9-21-19(14-18)20(23(28)25-11-6-13-31-2)15-22(27-21)17-7-5-10-24-16-17/h5,7-10,14-16,26H,3-4,6,11-13H2,1-2H3,(H,25,28).
What are the key properties of 6-(butylsulfamoyl)-N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide?
6-(butylsulfamoyl)-N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 3.14, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylsulfamoyl)-N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 4642300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).