1-ethyl-N-[2-(N-ethylanilino)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide

C26H32N4O4S — CID 20859261

IUPAC1-ethyl-N-[2-(N-ethylanilino)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
SMILESCCN(CCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O)c1ccccc1
InChIInChI=1S/C26H32N4O4S/c1-3-28(20-10-6-5-7-11-20)17-14-27-26(32)23-19-29(4-2)24-13-12-21(18-22(24)25(23)31)35(33,34)30-15-8-9-16-30/h5-7,10-13,18-19H,3-4,8-9,14-17H2,1-2H3,(H,27,32)
InChIKeyXCVHTHNHRRBASI-UHFFFAOYSA-N
MW496.63 g/mol
LogP3.06
Rot. Bonds9

About 1-ethyl-N-[2-(N-ethylanilino)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide

1-ethyl-N-[2-(N-ethylanilino)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide (PubChem CID 20859261) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is 1-ethyl-N-[2-(N-ethylanilino)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(N-ethylanilino)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
PubChem CID20859261
Molecular FormulaC26H32N4O4S
Molecular Weight496.63 g/mol
Exact Mass496.21
IUPAC Name1-ethyl-N-[2-(N-ethylanilino)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
SMILESCCN(CCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O)c1ccccc1
InChIInChI=1S/C26H32N4O4S/c1-3-28(20-10-6-5-7-11-20)17-14-27-26(32)23-19-29(4-2)24-13-12-21(18-22(24)25(23)31)35(33,34)30-15-8-9-16-30/h5-7,10-13,18-19H,3-4,8-9,14-17H2,1-2H3,(H,27,32)
InChIKeyXCVHTHNHRRBASI-UHFFFAOYSA-N
XLogP3.06
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[benzyl(propan-2-yl)amino]ethyl]-1-ethyl-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 20859262
6-(azepan-1-ylsulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-4-oxoquinoline-3-carboxamide
CID 20859308
1-ethyl-6-morpholin-4-ylsulfonyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide
CID 131841686
N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 20859257
N-[2-(diethylamino)ethyl]-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 5308234
N-benzyl-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 20859368
N-benzyl-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 20859222
N-[(2-chlorophenyl)methyl]-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 6622234
N-[3-(N-butylanilino)propyl]-2-oxo-6-pyrrolidin-1-ylsulfonyl-1H-quinoline-4-carboxamide
CID 20967939
ethyl 4-(1-ethyl-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carbonyl)piperazine-1-carboxylate
CID 3238877
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8909751
1-methyl-N-[2-(4-methylphenyl)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 20859099

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(N-ethylanilino)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(N-ethylanilino)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide (CID 20859261) is 1-ethyl-N-[2-(N-ethylanilino)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(N-ethylanilino)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(N-ethylanilino)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide is CCN(CCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O)c1ccccc1.
What is the InChIKey of 1-ethyl-N-[2-(N-ethylanilino)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide?
The InChIKey is XCVHTHNHRRBASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S/c1-3-28(20-10-6-5-7-11-20)17-14-27-26(32)23-19-29(4-2)24-13-12-21(18-22(24)25(23)31)35(33,34)30-15-8-9-16-30/h5-7,10-13,18-19H,3-4,8-9,14-17H2,1-2H3,(H,27,32).
What are the key properties of 1-ethyl-N-[2-(N-ethylanilino)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide?
1-ethyl-N-[2-(N-ethylanilino)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide has a molecular weight of 496.63 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(N-ethylanilino)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide is sourced from PubChem (CID 20859261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).