2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide

C20H27N3O2S — CID 3245601

IUPAC2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
SMILESCCN1CCCC1CNC(=O)CSc1cc(=O)n(CC)c2ccccc12
InChIInChI=1S/C20H27N3O2S/c1-3-22-11-7-8-15(22)13-21-19(24)14-26-18-12-20(25)23(4-2)17-10-6-5-9-16(17)18/h5-6,9-10,12,15H,3-4,7-8,11,13-14H2,1-2H3,(H,21,24)
InChIKeyIVCJAOMAFJTWNF-UHFFFAOYSA-N
MW373.52 g/mol
LogP2.71
Rot. Bonds7

About 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide

2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide (PubChem CID 3245601) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
PubChem CID3245601
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
SMILESCCN1CCCC1CNC(=O)CSc1cc(=O)n(CC)c2ccccc12
InChIInChI=1S/C20H27N3O2S/c1-3-22-11-7-8-15(22)13-21-19(24)14-26-18-12-20(25)23(4-2)17-10-6-5-9-16(17)18/h5-6,9-10,12,15H,3-4,7-8,11,13-14H2,1-2H3,(H,21,24)
InChIKeyIVCJAOMAFJTWNF-UHFFFAOYSA-N
XLogP2.71
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide with MolForge

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Related Compounds

4-{[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]thio}-1-ethylquinolin-2(1H)-one
CID 3240229
5-[(3-Methylphenyl)amino]-1,3-thiazolidine-2,4-dione
CID 2770839
3-(2-Aminoethyl)-5-(4-(dimethylamino)benzylidene)thiazolidine-2,4-dione
CID 2329349
N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propylpropanamide
CID 2017572
(5E)-5-(1-ethyl-2(1H)-quinolinylidene)-3-propyl-2-thioxo-1,3-thiazolidin-4-one
CID 3124665
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-methylphenyl)acetamide
CID 3155225
N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide
CID 3630500
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135516285
2,2-Dimethyl-3-[4-(4-m-tolyl-piperazin-1-yl)-butyl]-thiazolidin-4-one
CID 10594773
3-[4-(4-o-Tolyl-piperazin-1-yl)-butyl]-thiazolidin-4-one
CID 10664387
5,5-Dimethyl-3-[4-(4-o-tolyl-piperazin-1-yl)-butyl]-thiazolidin-4-one
CID 10666322
3-[4-(4-m-Tolyl-piperazin-1-yl)-butyl]-thiazolidin-4-one
CID 10759099

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
The IUPAC name of 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide (CID 3245601) is 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide is CCN1CCCC1CNC(=O)CSc1cc(=O)n(CC)c2ccccc12.
What is the InChIKey of 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
The InChIKey is IVCJAOMAFJTWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-3-22-11-7-8-15(22)13-21-19(24)14-26-18-12-20(25)23(4-2)17-10-6-5-9-16(17)18/h5-6,9-10,12,15H,3-4,7-8,11,13-14H2,1-2H3,(H,21,24).
What are the key properties of 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide has a molecular weight of 373.52 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide is sourced from PubChem (CID 3245601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).