2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)propanamide

C26H24N4O4 — CID 50746440

IUPAC2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)n2c(=O)c(-c3ccccc3NC(C)=O)nc3ccccc32)cc1
InChIInChI=1S/C26H24N4O4/c1-16(25(32)28-18-12-14-19(34-3)15-13-18)30-23-11-7-6-10-22(23)29-24(26(30)33)20-8-4-5-9-21(20)27-17(2)31/h4-16H,1-3H3,(H,27,31)(H,28,32)
InChIKeyVXPGAEXASJUUOD-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.23
Rot. Bonds6

About 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)propanamide

2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)propanamide (PubChem CID 50746440) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)propanamide
PubChem CID50746440
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Name2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)n2c(=O)c(-c3ccccc3NC(C)=O)nc3ccccc32)cc1
InChIInChI=1S/C26H24N4O4/c1-16(25(32)28-18-12-14-19(34-3)15-13-18)30-23-11-7-6-10-22(23)29-24(26(30)33)20-8-4-5-9-21(20)27-17(2)31/h4-16H,1-3H3,(H,27,31)(H,28,32)
InChIKeyVXPGAEXASJUUOD-UHFFFAOYSA-N
XLogP4.23
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-acetylphenyl)propanamide
CID 20894940
2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2-methylphenyl)propanamide
CID 50747281
(2S)-N-(2-methylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]propanamide
CID 92901934
2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 50747295
(2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)propanamide
CID 92736195
(2S)-2-[3-[5-ethyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]-N-phenylpropanamide
CID 92901989
(2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide
CID 92901957
2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(5-chloro-2-methylphenyl)propanamide
CID 50747268
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
CID 3803407
2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)-2-quinolin-4-ylacetamide
CID 53383349
2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 20894952
N-(3-ethylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]butanamide
CID 46266247

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)propanamide (CID 50746440) is 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)n2c(=O)c(-c3ccccc3NC(C)=O)nc3ccccc32)cc1.
What is the InChIKey of 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)propanamide?
The InChIKey is VXPGAEXASJUUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-16(25(32)28-18-12-14-19(34-3)15-13-18)30-23-11-7-6-10-22(23)29-24(26(30)33)20-8-4-5-9-21(20)27-17(2)31/h4-16H,1-3H3,(H,27,31)(H,28,32).
What are the key properties of 2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)propanamide?
2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)propanamide has a molecular weight of 456.50 g/mol, XLogP of 4.23, 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-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 50746440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).