2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3-acetylphenyl)acetamide

C26H22N4O4 — CID 46367536

IUPAC2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3-acetylphenyl)acetamide
SMILESCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cccc(C(C)=O)c2)c1=O
InChIInChI=1S/C26H22N4O4/c1-16(31)18-8-7-9-19(14-18)28-24(33)15-30-23-13-6-5-12-22(23)29-25(26(30)34)20-10-3-4-11-21(20)27-17(2)32/h3-14H,15H2,1-2H3,(H,27,32)(H,28,33)
InChIKeySUICTZYSJMPKBG-UHFFFAOYSA-N
MW454.49 g/mol
LogP3.86
Rot. Bonds6

About 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3-acetylphenyl)acetamide

2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3-acetylphenyl)acetamide (PubChem CID 46367536) has the molecular formula C26H22N4O4 and a molecular weight of 454.49 g/mol. Its IUPAC name is 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3-acetylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3-acetylphenyl)acetamide
PubChem CID46367536
Molecular FormulaC26H22N4O4
Molecular Weight454.49 g/mol
Exact Mass454.16
IUPAC Name2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3-acetylphenyl)acetamide
SMILESCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cccc(C(C)=O)c2)c1=O
InChIInChI=1S/C26H22N4O4/c1-16(31)18-8-7-9-19(14-18)28-24(33)15-30-23-13-6-5-12-22(23)29-25(26(30)34)20-10-3-4-11-21(20)27-17(2)32/h3-14H,15H2,1-2H3,(H,27,32)(H,28,33)
InChIKeySUICTZYSJMPKBG-UHFFFAOYSA-N
XLogP3.86
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 20894952
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-(3-acetylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 2711463
N-[2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]-2-methylpropanamide
CID 46367572
N-[2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
CID 20895410
2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-acetylphenyl)propanamide
CID 20894940
2-(4-acetamidoindol-1-yl)-N-(3-acetylphenyl)acetamide
CID 71828766
N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide
CID 863030
N-[2-[4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
CID 46367566
N-[2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
CID 46266404
N-(3-acetylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide
CID 6502365

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3-acetylphenyl)acetamide?
The IUPAC name of 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3-acetylphenyl)acetamide (CID 46367536) is 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3-acetylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3-acetylphenyl)acetamide?
The canonical SMILES for 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3-acetylphenyl)acetamide is CC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cccc(C(C)=O)c2)c1=O.
What is the InChIKey of 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3-acetylphenyl)acetamide?
The InChIKey is SUICTZYSJMPKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O4/c1-16(31)18-8-7-9-19(14-18)28-24(33)15-30-23-13-6-5-12-22(23)29-25(26(30)34)20-10-3-4-11-21(20)27-17(2)32/h3-14H,15H2,1-2H3,(H,27,32)(H,28,33).
What are the key properties of 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3-acetylphenyl)acetamide?
2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3-acetylphenyl)acetamide has a molecular weight of 454.49 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3-acetylphenyl)acetamide is sourced from PubChem (CID 46367536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).