N-(4-acetylphenyl)-2-(1-ethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetamide

C20H21N3O3 — CID 17405826

IUPACN-(4-acetylphenyl)-2-(1-ethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetamide
SMILESCCN1c2ccccc2NC(=O)C1CC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C20H21N3O3/c1-3-23-17-7-5-4-6-16(17)22-20(26)18(23)12-19(25)21-15-10-8-14(9-11-15)13(2)24/h4-11,18H,3,12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyRWXFABIYINGDNK-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.07
Rot. Bonds5

About N-(4-acetylphenyl)-2-(1-ethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetamide

N-(4-acetylphenyl)-2-(1-ethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetamide (PubChem CID 17405826) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(1-ethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(1-ethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetamide
PubChem CID17405826
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(4-acetylphenyl)-2-(1-ethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetamide
SMILESCCN1c2ccccc2NC(=O)C1CC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C20H21N3O3/c1-3-23-17-7-5-4-6-16(17)22-20(26)18(23)12-19(25)21-15-10-8-14(9-11-15)13(2)24/h4-11,18H,3,12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyRWXFABIYINGDNK-UHFFFAOYSA-N
XLogP3.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1095970
2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 51551628
2-[(2R)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 51551629
N-(4-fluorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1285370
2-[(2S)-1-(2-cyanoethyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-propoxyphenyl)acetamide
CID 25386003
2-[(2R)-3-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
CID 2491092
2-[(2S)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
CID 35043810
N-(4-methylphenyl)-2-[(2S)-3-oxo-1-(1,3-thiazol-4-ylmethyl)-2,4-dihydroquinoxalin-2-yl]acetamide
CID 41141661
2-[(2R)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide
CID 34316362
2-[(2S)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
CID 35042843
ethyl 4-[[2-[(2R)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetyl]amino]benzoate
CID 34316902
N-(4-methylphenyl)-2-[(2R)-3-oxo-1-(4-propoxybenzoyl)-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34311344

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(1-ethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(1-ethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetamide (CID 17405826) is N-(4-acetylphenyl)-2-(1-ethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(1-ethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(1-ethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetamide is CCN1c2ccccc2NC(=O)C1CC(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(1-ethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetamide?
The InChIKey is RWXFABIYINGDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-23-17-7-5-4-6-16(17)22-20(26)18(23)12-19(25)21-15-10-8-14(9-11-15)13(2)24/h4-11,18H,3,12H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-(4-acetylphenyl)-2-(1-ethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetamide?
N-(4-acetylphenyl)-2-(1-ethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetamide has a molecular weight of 351.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(1-ethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetamide is sourced from PubChem (CID 17405826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).