N-benzyl-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-4-oxoquinoline-3-carboxamide

C26H31N3O4S — CID 20859368

IUPACN-benzyl-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(S(=O)(=O)N3CC(C)CC(C)C3)ccc21
InChIInChI=1S/C26H31N3O4S/c1-4-28-17-23(26(31)27-14-20-8-6-5-7-9-20)25(30)22-13-21(10-11-24(22)28)34(32,33)29-15-18(2)12-19(3)16-29/h5-11,13,17-19H,4,12,14-16H2,1-3H3,(H,27,31)
InChIKeyMLDSMGACXHTWFD-UHFFFAOYSA-N
MW481.62 g/mol
LogP3.62
Rot. Bonds6

About N-benzyl-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-4-oxoquinoline-3-carboxamide

N-benzyl-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-4-oxoquinoline-3-carboxamide (PubChem CID 20859368) has the molecular formula C26H31N3O4S and a molecular weight of 481.62 g/mol. Its IUPAC name is N-benzyl-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-4-oxoquinoline-3-carboxamide
PubChem CID20859368
Molecular FormulaC26H31N3O4S
Molecular Weight481.62 g/mol
Exact Mass481.20
IUPAC NameN-benzyl-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(S(=O)(=O)N3CC(C)CC(C)C3)ccc21
InChIInChI=1S/C26H31N3O4S/c1-4-28-17-23(26(31)27-14-20-8-6-5-7-9-20)25(30)22-13-21(10-11-24(22)28)34(32,33)29-15-18(2)12-19(3)16-29/h5-11,13,17-19H,4,12,14-16H2,1-3H3,(H,27,31)
InChIKeyMLDSMGACXHTWFD-UHFFFAOYSA-N
XLogP3.62
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-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-benzyl-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 20859222
N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850863
6-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide
CID 98463328
1-ethyl-N-[2-(N-ethylanilino)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 20859261
N-[2-[benzyl(propan-2-yl)amino]ethyl]-1-ethyl-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 20859262
6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 23795791
6-(azepan-1-ylsulfonyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-4-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 98211122
N-[(2-chlorophenyl)methyl]-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 6622234
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 3237700
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-ethyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]quinoline-3-carboxamide
CID 99736939
1-ethyl-6-morpholin-4-ylsulfonyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide
CID 131841686
1-ethyl-6-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
CID 30132048

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-benzyl-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-4-oxoquinoline-3-carboxamide (CID 20859368) is N-benzyl-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-benzyl-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(S(=O)(=O)N3CC(C)CC(C)C3)ccc21.
What is the InChIKey of N-benzyl-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-4-oxoquinoline-3-carboxamide?
The InChIKey is MLDSMGACXHTWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4S/c1-4-28-17-23(26(31)27-14-20-8-6-5-7-9-20)25(30)22-13-21(10-11-24(22)28)34(32,33)29-15-18(2)12-19(3)16-29/h5-11,13,17-19H,4,12,14-16H2,1-3H3,(H,27,31).
What are the key properties of N-benzyl-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-4-oxoquinoline-3-carboxamide?
N-benzyl-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-4-oxoquinoline-3-carboxamide has a molecular weight of 481.62 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 20859368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).