4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one

C18H19N3O2S — CID 9440117

IUPAC4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CN2CCC[C@H]2c2cccs2)c2ccccc2N1
InChIInChI=1S/C18H19N3O2S/c22-17-11-21(14-6-2-1-5-13(14)19-17)18(23)12-20-9-3-7-15(20)16-8-4-10-24-16/h1-2,4-6,8,10,15H,3,7,9,11-12H2,(H,19,22)/t15-/m0/s1
InChIKeyFWTWFDBPDODNHZ-HNNXBMFYSA-N
MW341.44 g/mol
LogP2.87
Rot. Bonds3

About 4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 9440117) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID9440117
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CN2CCC[C@H]2c2cccs2)c2ccccc2N1
InChIInChI=1S/C18H19N3O2S/c22-17-11-21(14-6-2-1-5-13(14)19-17)18(23)12-20-9-3-7-15(20)16-8-4-10-24-16/h1-2,4-6,8,10,15H,3,7,9,11-12H2,(H,19,22)/t15-/m0/s1
InChIKeyFWTWFDBPDODNHZ-HNNXBMFYSA-N
XLogP2.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

4-[2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9129074
4-[2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 84909068
4-[2-(2-benzylpyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 126783225
4-[2-[(2R)-2-benzylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 32745687
N,N-dimethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 47015502
4-[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9440102
4-[2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 92612938
4-[2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 46980921
cyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 9265031
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 98706638
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 47010546
4-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 126783324

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one (CID 9440117) is 4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)CN2CCC[C@H]2c2cccs2)c2ccccc2N1.
What is the InChIKey of 4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is FWTWFDBPDODNHZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-17-11-21(14-6-2-1-5-13(14)19-17)18(23)12-20-9-3-7-15(20)16-8-4-10-24-16/h1-2,4-6,8,10,15H,3,7,9,11-12H2,(H,19,22)/t15-/m0/s1.
What are the key properties of 4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 341.44 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 9440117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).