2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide

C26H24ClN3O4 — CID 46259369

IUPAC2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C26H24ClN3O4/c1-34-23-9-5-2-6-19(23)14-15-28-24(31)17-30-22-8-4-3-7-21(22)29(25(32)26(30)33)16-18-10-12-20(27)13-11-18/h2-13H,14-17H2,1H3,(H,28,31)
InChIKeyBVCHQVXVXMGIJI-UHFFFAOYSA-N
MW477.95 g/mol
LogP3.23
Rot. Bonds8

About 2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide

2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 46259369) has the molecular formula C26H24ClN3O4 and a molecular weight of 477.95 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID46259369
Molecular FormulaC26H24ClN3O4
Molecular Weight477.95 g/mol
Exact Mass477.15
IUPAC Name2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C26H24ClN3O4/c1-34-23-9-5-2-6-19(23)14-15-28-24(31)17-30-22-8-4-3-7-21(22)29(25(32)26(30)33)16-18-10-12-20(27)13-11-18/h2-13H,14-17H2,1H3,(H,28,31)
InChIKeyBVCHQVXVXMGIJI-UHFFFAOYSA-N
XLogP3.23
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.95
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 46357424
2-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000751
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 46357381
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110688799
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 46357411
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 46259328
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[(3S)-3-pyrrolidin-1-ylbutyl]acetamide
CID 92876374
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 46357370
N-[(4-chlorophenyl)methyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 108998211
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 9073066
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-(2-phenylpropyl)acetamide
CID 46357376
3-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110298815

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide (CID 46259369) is 2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1CCNC(=O)Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is BVCHQVXVXMGIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O4/c1-34-23-9-5-2-6-19(23)14-15-28-24(31)17-30-22-8-4-3-7-21(22)29(25(32)26(30)33)16-18-10-12-20(27)13-11-18/h2-13H,14-17H2,1H3,(H,28,31).
What are the key properties of 2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 477.95 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 46259369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).