6-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dipropylamino)propyl]-1-methyl-4-oxoquinoline-3-carboxamide

C27H42N4O4S — CID 20859177

IUPAC6-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dipropylamino)propyl]-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCCCN(CCC)CCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O
InChIInChI=1S/C27H42N4O4S/c1-5-16-31(17-6-2)18-10-15-28-27(33)24-20-29(3)25-14-13-22(19-23(25)26(24)32)36(34,35)30(4)21-11-8-7-9-12-21/h13-14,19-21H,5-12,15-18H2,1-4H3,(H,28,33)
InChIKeyPFHHAWRUJHLZPE-UHFFFAOYSA-N
MW518.72 g/mol
LogP3.73
Rot. Bonds12

About 6-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dipropylamino)propyl]-1-methyl-4-oxoquinoline-3-carboxamide

6-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dipropylamino)propyl]-1-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 20859177) has the molecular formula C27H42N4O4S and a molecular weight of 518.72 g/mol. Its IUPAC name is 6-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dipropylamino)propyl]-1-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name6-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dipropylamino)propyl]-1-methyl-4-oxoquinoline-3-carboxamide
PubChem CID20859177
Molecular FormulaC27H42N4O4S
Molecular Weight518.72 g/mol
Exact Mass518.29
IUPAC Name6-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dipropylamino)propyl]-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCCCN(CCC)CCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O
InChIInChI=1S/C27H42N4O4S/c1-5-16-31(17-6-2)18-10-15-28-27(33)24-20-29(3)25-14-13-22(19-23(25)26(24)32)36(34,35)30(4)21-11-8-7-9-12-21/h13-14,19-21H,5-12,15-18H2,1-4H3,(H,28,33)
InChIKeyPFHHAWRUJHLZPE-UHFFFAOYSA-N
XLogP3.73
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.72
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[cyclohexyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 5307488
6-[cyclohexyl(methyl)sulfamoyl]-1-ethyl-N-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide
CID 5307227
N-butyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859084
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-6-[cyclohexyl(methyl)sulfamoyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 46255102
N-cycloheptyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859069
N-cyclopentyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859070
N-(1,3-benzodioxol-5-ylmethyl)-6-[cyclohexyl(methyl)sulfamoyl]-1-ethyl-4-oxoquinoline-3-carboxamide
CID 20859318
6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide
CID 20859076
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 3237700
N-butyl-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide
CID 22422460
1-methyl-4-oxo-N,N-dipropyl-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 15996290
N-[2-(diethylamino)ethyl]-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 5308234

Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dipropylamino)propyl]-1-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 6-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dipropylamino)propyl]-1-methyl-4-oxoquinoline-3-carboxamide (CID 20859177) is 6-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dipropylamino)propyl]-1-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 6-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dipropylamino)propyl]-1-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 6-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dipropylamino)propyl]-1-methyl-4-oxoquinoline-3-carboxamide is CCCN(CCC)CCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O.
What is the InChIKey of 6-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dipropylamino)propyl]-1-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is PFHHAWRUJHLZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N4O4S/c1-5-16-31(17-6-2)18-10-15-28-27(33)24-20-29(3)25-14-13-22(19-23(25)26(24)32)36(34,35)30(4)21-11-8-7-9-12-21/h13-14,19-21H,5-12,15-18H2,1-4H3,(H,28,33).
What are the key properties of 6-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dipropylamino)propyl]-1-methyl-4-oxoquinoline-3-carboxamide?
6-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dipropylamino)propyl]-1-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 518.72 g/mol, XLogP of 3.73, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dipropylamino)propyl]-1-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 20859177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).