N-cycloheptyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide

C22H31N3O4S — CID 20859069

IUPACN-cycloheptyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NC1CCCCCC1)cn2C
InChIInChI=1S/C22H31N3O4S/c1-4-25(5-2)30(28,29)17-12-13-20-18(14-17)21(26)19(15-24(20)3)22(27)23-16-10-8-6-7-9-11-16/h12-16H,4-11H2,1-3H3,(H,23,27)
InChIKeyAYWMWJMKPZEQOR-UHFFFAOYSA-N
MW433.57 g/mol
LogP3.02
Rot. Bonds6

About N-cycloheptyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide

N-cycloheptyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 20859069) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is N-cycloheptyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
PubChem CID20859069
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC NameN-cycloheptyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NC1CCCCCC1)cn2C
InChIInChI=1S/C22H31N3O4S/c1-4-25(5-2)30(28,29)17-12-13-20-18(14-17)21(26)19(15-24(20)3)22(27)23-16-10-8-6-7-9-11-16/h12-16H,4-11H2,1-3H3,(H,23,27)
InChIKeyAYWMWJMKPZEQOR-UHFFFAOYSA-N
XLogP3.02
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cycloheptyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859070
N-butyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859084
6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide
CID 20859076
6-[cyclohexyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 5307488
N-cyclohexyl-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7872467
6-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dipropylamino)propyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859177
2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide
CID 9214228
5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid
CID 663444
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 46255088
6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132192
6-(azepan-1-ylsulfonyl)-N-(2,3-dimethylcyclohexyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859157
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-6-[cyclohexyl(methyl)sulfamoyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 46255102

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-cycloheptyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide (CID 20859069) is N-cycloheptyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-cycloheptyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NC1CCCCCC1)cn2C.
What is the InChIKey of N-cycloheptyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is AYWMWJMKPZEQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-4-25(5-2)30(28,29)17-12-13-20-18(14-17)21(26)19(15-24(20)3)22(27)23-16-10-8-6-7-9-11-16/h12-16H,4-11H2,1-3H3,(H,23,27).
What are the key properties of N-cycloheptyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide?
N-cycloheptyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 433.57 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 20859069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).