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

C26H24ClN3O3 — CID 46357376

IUPAC2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)c1ccccc1
InChIInChI=1S/C26H24ClN3O3/c1-18(20-7-3-2-4-8-20)15-28-24(31)17-30-23-10-6-5-9-22(23)29(25(32)26(30)33)16-19-11-13-21(27)14-12-19/h2-14,18H,15-17H2,1H3,(H,28,31)
InChIKeyLTLBUWBYAMFALN-UHFFFAOYSA-N
MW461.95 g/mol
LogP3.78
Rot. Bonds7

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

2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-(2-phenylpropyl)acetamide (PubChem CID 46357376) has the molecular formula C26H24ClN3O3 and a molecular weight of 461.95 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-(2-phenylpropyl)acetamide
PubChem CID46357376
Molecular FormulaC26H24ClN3O3
Molecular Weight461.95 g/mol
Exact Mass461.15
IUPAC Name2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)c1ccccc1
InChIInChI=1S/C26H24ClN3O3/c1-18(20-7-3-2-4-8-20)15-28-24(31)17-30-23-10-6-5-9-22(23)29(25(32)26(30)33)16-19-11-13-21(27)14-12-19/h2-14,18H,15-17H2,1H3,(H,28,31)
InChIKeyLTLBUWBYAMFALN-UHFFFAOYSA-N
XLogP3.78
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[(3S)-3-pyrrolidin-1-ylbutyl]acetamide
CID 92876374
2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 93060384
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 46357411
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 46357370
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 46259369
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 46357381
2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(2-phenylpropyl)acetamide
CID 20892150
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-(1-thiophen-2-ylbutyl)acetamide
CID 46357392
4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400868
2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide
CID 51646878
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 7488456

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-(2-phenylpropyl)acetamide (CID 46357376) is 2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-(2-phenylpropyl)acetamide is CC(CNC(=O)Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)c1ccccc1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-(2-phenylpropyl)acetamide?
The InChIKey is LTLBUWBYAMFALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3/c1-18(20-7-3-2-4-8-20)15-28-24(31)17-30-23-10-6-5-9-22(23)29(25(32)26(30)33)16-19-11-13-21(27)14-12-19/h2-14,18H,15-17H2,1H3,(H,28,31).
What are the key properties of 2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-(2-phenylpropyl)acetamide?
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-(2-phenylpropyl)acetamide has a molecular weight of 461.95 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 46357376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).