2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3,5-dimethylphenyl)acetamide

C26H24N4O3 — CID 20894952

IUPAC2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3,5-dimethylphenyl)acetamide
SMILESCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cc(C)cc(C)c2)c1=O
InChIInChI=1S/C26H24N4O3/c1-16-12-17(2)14-19(13-16)28-24(32)15-30-23-11-7-6-10-22(23)29-25(26(30)33)20-8-4-5-9-21(20)27-18(3)31/h4-14H,15H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyLSLZAHCNWXOUFA-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.28
Rot. Bonds5

About 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3,5-dimethylphenyl)acetamide

2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3,5-dimethylphenyl)acetamide (PubChem CID 20894952) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3,5-dimethylphenyl)acetamide
PubChem CID20894952
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3,5-dimethylphenyl)acetamide
SMILESCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cc(C)cc(C)c2)c1=O
InChIInChI=1S/C26H24N4O3/c1-16-12-17(2)14-19(13-16)28-24(32)15-30-23-11-7-6-10-22(23)29-25(26(30)33)20-8-4-5-9-21(20)27-18(3)31/h4-14H,15H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyLSLZAHCNWXOUFA-UHFFFAOYSA-N
XLogP4.28
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3-acetylphenyl)acetamide
CID 46367536
N-[2-[4-[2-(3-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide
CID 20894967
N-[2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide
CID 46266252
N-[2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]-2-methylpropanamide
CID 46367572
N-[2-[4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
CID 46367566
N-[2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
CID 20895410
N-[2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
CID 46266404
N-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028988
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 17032560
N-(4-methylphenyl)-2-[2-(2-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032745
N-(3,5-dimethylphenyl)-2-(4-oxo-1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061635
N-methyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 53097764

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3,5-dimethylphenyl)acetamide (CID 20894952) is 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3,5-dimethylphenyl)acetamide is CC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cc(C)cc(C)c2)c1=O.
What is the InChIKey of 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is LSLZAHCNWXOUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-16-12-17(2)14-19(13-16)28-24(32)15-30-23-11-7-6-10-22(23)29-25(26(30)33)20-8-4-5-9-21(20)27-18(3)31/h4-14H,15H2,1-3H3,(H,27,31)(H,28,32).
What are the key properties of 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3,5-dimethylphenyl)acetamide?
2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 440.50 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 20894952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).