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

C23H33N3O5S — CID 5307227

IUPAC6-[cyclohexyl(methyl)sulfamoyl]-1-ethyl-N-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCCCOC)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21
InChIInChI=1S/C23H33N3O5S/c1-4-26-16-20(23(28)24-13-8-14-31-3)22(27)19-15-18(11-12-21(19)26)32(29,30)25(2)17-9-6-5-7-10-17/h11-12,15-17H,4-10,13-14H2,1-3H3,(H,24,28)
InChIKeyCQJLSHBCBCNPRX-UHFFFAOYSA-N
MW463.60 g/mol
LogP2.74
Rot. Bonds9

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

6-[cyclohexyl(methyl)sulfamoyl]-1-ethyl-N-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide (PubChem CID 5307227) has the molecular formula C23H33N3O5S and a molecular weight of 463.60 g/mol. Its IUPAC name is 6-[cyclohexyl(methyl)sulfamoyl]-1-ethyl-N-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name6-[cyclohexyl(methyl)sulfamoyl]-1-ethyl-N-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide
PubChem CID5307227
Molecular FormulaC23H33N3O5S
Molecular Weight463.60 g/mol
Exact Mass463.21
IUPAC Name6-[cyclohexyl(methyl)sulfamoyl]-1-ethyl-N-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCCCOC)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21
InChIInChI=1S/C23H33N3O5S/c1-4-26-16-20(23(28)24-13-8-14-31-3)22(27)19-15-18(11-12-21(19)26)32(29,30)25(2)17-9-6-5-7-10-17/h11-12,15-17H,4-10,13-14H2,1-3H3,(H,24,28)
InChIKeyCQJLSHBCBCNPRX-UHFFFAOYSA-N
XLogP2.74
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 52.74
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

N-(1,3-benzodioxol-5-ylmethyl)-6-[cyclohexyl(methyl)sulfamoyl]-1-ethyl-4-oxoquinoline-3-carboxamide
CID 20859318
6-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dipropylamino)propyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859177
6-[cyclohexyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 5307488
1-ethyl-N-(3-methoxypropyl)-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133526
N-[2-(diethylamino)ethyl]-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 5308234
N-benzyl-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 20859222
1-ethyl-6-methoxy-N-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132802
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-6-[cyclohexyl(methyl)sulfamoyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 46255102
N-[(2-chlorophenyl)methyl]-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 6622234
6-(azepan-1-ylsulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-4-oxoquinoline-3-carboxamide
CID 20859308
N-butyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859084
N-cycloheptyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859069

Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(methyl)sulfamoyl]-1-ethyl-N-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide?
The IUPAC name of 6-[cyclohexyl(methyl)sulfamoyl]-1-ethyl-N-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide (CID 5307227) is 6-[cyclohexyl(methyl)sulfamoyl]-1-ethyl-N-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 6-[cyclohexyl(methyl)sulfamoyl]-1-ethyl-N-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 6-[cyclohexyl(methyl)sulfamoyl]-1-ethyl-N-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)NCCCOC)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21.
What is the InChIKey of 6-[cyclohexyl(methyl)sulfamoyl]-1-ethyl-N-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide?
The InChIKey is CQJLSHBCBCNPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O5S/c1-4-26-16-20(23(28)24-13-8-14-31-3)22(27)19-15-18(11-12-21(19)26)32(29,30)25(2)17-9-6-5-7-10-17/h11-12,15-17H,4-10,13-14H2,1-3H3,(H,24,28).
What are the key properties of 6-[cyclohexyl(methyl)sulfamoyl]-1-ethyl-N-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide?
6-[cyclohexyl(methyl)sulfamoyl]-1-ethyl-N-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide has a molecular weight of 463.60 g/mol, XLogP of 2.74, 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]-1-ethyl-N-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 5307227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).