4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one

C17H19N3O2S — CID 8718340

IUPAC4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCCN(CC(=O)N1CC(=O)Nc2ccccc21)Cc1cccs1
InChIInChI=1S/C17H19N3O2S/c1-2-19(10-13-6-5-9-23-13)12-17(22)20-11-16(21)18-14-7-3-4-8-15(14)20/h3-9H,2,10-12H2,1H3,(H,18,21)
InChIKeyWAHHANJGHVKJAE-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.56
Rot. Bonds5

About 4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 8718340) has the molecular formula C17H19N3O2S and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID8718340
Molecular FormulaC17H19N3O2S
Molecular Weight329.42 g/mol
Exact Mass329.12
IUPAC Name4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCCN(CC(=O)N1CC(=O)Nc2ccccc21)Cc1cccs1
InChIInChI=1S/C17H19N3O2S/c1-2-19(10-13-6-5-9-23-13)12-17(22)20-11-16(21)18-14-7-3-4-8-15(14)20/h3-9H,2,10-12H2,1H3,(H,18,21)
InChIKeyWAHHANJGHVKJAE-UHFFFAOYSA-N
XLogP2.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 32582532
4-[2-[ethyl(thiophen-2-ylmethyl)amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 17394029
N-ethyl-2-[ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]acetamide
CID 9433179
4-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9349298
4-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 8746830
4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9440117
4-[2-[ethyl(thiophen-2-ylmethyl)amino]propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
CID 112796945
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone
CID 55410744
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one
CID 79810105
4-[[furan-2-ylmethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]methyl]-N-methylbenzamide
CID 30869878
ethane;4-[3-(2-hydroxyethylamino)propanoyl]-1,3-dihydroquinoxalin-2-one;propane
CID 163261655

Frequently Asked Questions

What is the IUPAC name of 4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one (CID 8718340) is 4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one is CCN(CC(=O)N1CC(=O)Nc2ccccc21)Cc1cccs1.
What is the InChIKey of 4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is WAHHANJGHVKJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-2-19(10-13-6-5-9-23-13)12-17(22)20-11-16(21)18-14-7-3-4-8-15(14)20/h3-9H,2,10-12H2,1H3,(H,18,21).
What are the key properties of 4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 329.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 8718340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).