N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide

C20H20N4O4 — CID 1095970

IUPACN-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(C)=O)cc1
InChIInChI=1S/C20H20N4O4/c1-12(25)21-14-7-9-15(10-8-14)22-19(27)11-18-20(28)23-16-5-3-4-6-17(16)24(18)13(2)26/h3-10,18H,11H2,1-2H3,(H,21,25)(H,22,27)(H,23,28)/t18-/m1/s1
InChIKeyVYTXGWLWKLMACC-GOSISDBHSA-N
MW380.40 g/mol
LogP2.35
Rot. Bonds4

About N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide

N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (PubChem CID 1095970) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
PubChem CID1095970
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(C)=O)cc1
InChIInChI=1S/C20H20N4O4/c1-12(25)21-14-7-9-15(10-8-14)22-19(27)11-18-20(28)23-16-5-3-4-6-17(16)24(18)13(2)26/h3-10,18H,11H2,1-2H3,(H,21,25)(H,22,27)(H,23,28)/t18-/m1/s1
InChIKeyVYTXGWLWKLMACC-GOSISDBHSA-N
XLogP2.35
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(3-nitrophenyl)acetamide
CID 1288963
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
2-[(2R)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide
CID 34316362
N-(4-bromophenyl)-2-[(2R)-1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34316442
N-(4-fluorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1285370
2-[1-(2-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide
CID 45128995
2-[(2S)-1-(2-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide
CID 34316346
2-[1-[2-(4-methoxyphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 23793651
N-(4-acetylphenyl)-2-(1-ethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetamide
CID 17405826
2-[(2S)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
CID 35043810
2-[(2R)-1-(furan-2-carbonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 35042841

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (CID 1095970) is N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is CC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(C)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The InChIKey is VYTXGWLWKLMACC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-12(25)21-14-7-9-15(10-8-14)22-19(27)11-18-20(28)23-16-5-3-4-6-17(16)24(18)13(2)26/h3-10,18H,11H2,1-2H3,(H,21,25)(H,22,27)(H,23,28)/t18-/m1/s1.
What are the key properties of N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide has a molecular weight of 380.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is sourced from PubChem (CID 1095970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).