N-[(E)-benzylideneamino]-2-(3-benzyl-2-oxoquinoxalin-1-yl)acetamide

C24H20N4O2 — CID 118731266

IUPACN-[(E)-benzylideneamino]-2-(3-benzyl-2-oxoquinoxalin-1-yl)acetamide
SMILESO=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)N/N=C/c1ccccc1
InChIInChI=1S/C24H20N4O2/c29-23(27-25-16-19-11-5-2-6-12-19)17-28-22-14-8-7-13-20(22)26-21(24(28)30)15-18-9-3-1-4-10-18/h1-14,16H,15,17H2,(H,27,29)/b25-16+
InChIKeyHFGKSQYLDMCCFA-PCLIKHOPSA-N
MW396.45 g/mol
LogP3.14
Rot. Bonds6

About N-[(E)-benzylideneamino]-2-(3-benzyl-2-oxoquinoxalin-1-yl)acetamide

N-[(E)-benzylideneamino]-2-(3-benzyl-2-oxoquinoxalin-1-yl)acetamide (PubChem CID 118731266) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-(3-benzyl-2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-(3-benzyl-2-oxoquinoxalin-1-yl)acetamide
PubChem CID118731266
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-[(E)-benzylideneamino]-2-(3-benzyl-2-oxoquinoxalin-1-yl)acetamide
SMILESO=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)N/N=C/c1ccccc1
InChIInChI=1S/C24H20N4O2/c29-23(27-25-16-19-11-5-2-6-12-19)17-28-22-14-8-7-13-20(22)26-21(24(28)30)15-18-9-3-1-4-10-18/h1-14,16H,15,17H2,(H,27,29)/b25-16+
InChIKeyHFGKSQYLDMCCFA-PCLIKHOPSA-N
XLogP3.14
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-Benzyl-2-oxoquinoxalin-1-yl)acetohydrazide
CID 164615411
2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(1,3-dioxoinden-2-ylidene)amino]acetamide
CID 164618552
N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-piperidin-1-ylacetamide
CID 142149822
N-[6-(2-aminoanilino)-6-oxohexyl]-2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 153525072
N-(2-{2-[4-(dimethylamino)benzylidene]hydrazino}-2-oxoethyl)-N-(2-methylphenyl)benzamide
CID 6876632
N-{2-[2-(4-fluorobenzylidene)hydrazino]-2-oxoethyl}-N-(2-methylphenyl)benzamide
CID 9725796
2-[3-(2-Acetamidophenyl)-2-oxo-1,2-dihydroquinoxalin-1-YL]-N-(4-ethylphenyl)acetamide
CID 16016374
N-(2-ethylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]propanamide
CID 16016568
2-[3-(2-Acetamidophenyl)-2-oxo-1,2-dihydroquinoxalin-1-YL]-N-(2,4,6-trimethylphenyl)butanamide
CID 16016624
N-{3-[Ethyl(phenyl)amino]propyl}-2-[3-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]acetamide
CID 16034264
N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-methylbenzohydrazide
CID 118731259
2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide
CID 118731269

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2-(3-benzyl-2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-(3-benzyl-2-oxoquinoxalin-1-yl)acetamide (CID 118731266) is N-[(E)-benzylideneamino]-2-(3-benzyl-2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-(3-benzyl-2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-(3-benzyl-2-oxoquinoxalin-1-yl)acetamide is O=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)N/N=C/c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]-2-(3-benzyl-2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is HFGKSQYLDMCCFA-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H20N4O2/c29-23(27-25-16-19-11-5-2-6-12-19)17-28-22-14-8-7-13-20(22)26-21(24(28)30)15-18-9-3-1-4-10-18/h1-14,16H,15,17H2,(H,27,29)/b25-16+.
What are the key properties of N-[(E)-benzylideneamino]-2-(3-benzyl-2-oxoquinoxalin-1-yl)acetamide?
N-[(E)-benzylideneamino]-2-(3-benzyl-2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 396.45 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-(3-benzyl-2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 118731266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).