6-[cyclohexyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide

C24H36N4O4S — CID 5307488

IUPAC6-[cyclohexyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O
InChIInChI=1S/C24H36N4O4S/c1-5-28(6-2)15-14-25-24(30)21-17-26(3)22-13-12-19(16-20(22)23(21)29)33(31,32)27(4)18-10-8-7-9-11-18/h12-13,16-18H,5-11,14-15H2,1-4H3,(H,25,30)
InChIKeySKPMEIVQFRDGDO-UHFFFAOYSA-N
MW476.64 g/mol
LogP2.56
Rot. Bonds9

About 6-[cyclohexyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide

6-[cyclohexyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 5307488) has the molecular formula C24H36N4O4S and a molecular weight of 476.64 g/mol. Its IUPAC name is 6-[cyclohexyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name6-[cyclohexyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide
PubChem CID5307488
Molecular FormulaC24H36N4O4S
Molecular Weight476.64 g/mol
Exact Mass476.25
IUPAC Name6-[cyclohexyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O
InChIInChI=1S/C24H36N4O4S/c1-5-28(6-2)15-14-25-24(30)21-17-26(3)22-13-12-19(16-20(22)23(21)29)33(31,32)27(4)18-10-8-7-9-11-18/h12-13,16-18H,5-11,14-15H2,1-4H3,(H,25,30)
InChIKeySKPMEIVQFRDGDO-UHFFFAOYSA-N
XLogP2.56
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.64
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 6-[cyclohexyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide (CID 5307488) is 6-[cyclohexyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 6-[cyclohexyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 6-[cyclohexyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide is CCN(CC)CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O.
What is the InChIKey of 6-[cyclohexyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is SKPMEIVQFRDGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O4S/c1-5-28(6-2)15-14-25-24(30)21-17-26(3)22-13-12-19(16-20(22)23(21)29)33(31,32)27(4)18-10-8-7-9-11-18/h12-13,16-18H,5-11,14-15H2,1-4H3,(H,25,30).
What are the key properties of 6-[cyclohexyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide?
6-[cyclohexyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 476.64 g/mol, XLogP of 2.56, 9 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-[2-(diethylamino)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 5307488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).