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

C18H21N3O2S — CID 17394029

IUPAC4-[2-[ethyl(thiophen-2-ylmethyl)amino]propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCCN(Cc1cccs1)C(C)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C18H21N3O2S/c1-3-20(11-14-7-6-10-24-14)13(2)18(23)21-12-17(22)19-15-8-4-5-9-16(15)21/h4-10,13H,3,11-12H2,1-2H3,(H,19,22)
InChIKeyPKGNMWYWSLFOKL-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.94
Rot. Bonds5

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

4-[2-[ethyl(thiophen-2-ylmethyl)amino]propanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 17394029) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-[2-[ethyl(thiophen-2-ylmethyl)amino]propanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-[ethyl(thiophen-2-ylmethyl)amino]propanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID17394029
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name4-[2-[ethyl(thiophen-2-ylmethyl)amino]propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCCN(Cc1cccs1)C(C)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C18H21N3O2S/c1-3-20(11-14-7-6-10-24-14)13(2)18(23)21-12-17(22)19-15-8-4-5-9-16(15)21/h4-10,13H,3,11-12H2,1-2H3,(H,19,22)
InChIKeyPKGNMWYWSLFOKL-UHFFFAOYSA-N
XLogP2.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[ethyl(thiophen-2-ylmethyl)amino]propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
CID 112796945
4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 8718340
N-ethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 32582532
4-[(2R)-2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 124616880
4-[(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8924570
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium
CID 8769576
[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium
CID 8769578
4-[(2R)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8789013
N-(2-ethylphenyl)-2-[methyl-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]amino]acetamide
CID 8789449
4-[(2S)-2-bromo-3-methylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 28822186
2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid
CID 103495892

Frequently Asked Questions

What is the IUPAC name of 4-[2-[ethyl(thiophen-2-ylmethyl)amino]propanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-[ethyl(thiophen-2-ylmethyl)amino]propanoyl]-1,3-dihydroquinoxalin-2-one (CID 17394029) is 4-[2-[ethyl(thiophen-2-ylmethyl)amino]propanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-[ethyl(thiophen-2-ylmethyl)amino]propanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-[ethyl(thiophen-2-ylmethyl)amino]propanoyl]-1,3-dihydroquinoxalin-2-one is CCN(Cc1cccs1)C(C)C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-[2-[ethyl(thiophen-2-ylmethyl)amino]propanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is PKGNMWYWSLFOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-3-20(11-14-7-6-10-24-14)13(2)18(23)21-12-17(22)19-15-8-4-5-9-16(15)21/h4-10,13H,3,11-12H2,1-2H3,(H,19,22).
What are the key properties of 4-[2-[ethyl(thiophen-2-ylmethyl)amino]propanoyl]-1,3-dihydroquinoxalin-2-one?
4-[2-[ethyl(thiophen-2-ylmethyl)amino]propanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 343.45 g/mol, XLogP of 2.94, 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]propanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 17394029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).