2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide

C25H22N4O3 — CID 118731268

IUPAC2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)Cn2c(=O)c(Cc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C25H22N4O3/c1-32-20-13-11-19(12-14-20)16-26-28-24(30)17-29-23-10-6-5-9-21(23)27-22(25(29)31)15-18-7-3-2-4-8-18/h2-14,16H,15,17H2,1H3,(H,28,30)/b26-16+
InChIKeyVUMOKPLJAPXTDD-WGOQTCKBSA-N
MW426.48 g/mol
LogP3.15
Rot. Bonds7

About 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide

2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide (PubChem CID 118731268) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
PubChem CID118731268
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)Cn2c(=O)c(Cc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C25H22N4O3/c1-32-20-13-11-19(12-14-20)16-26-28-24(30)17-29-23-10-6-5-9-21(23)27-22(25(29)31)15-18-7-3-2-4-8-18/h2-14,16H,15,17H2,1H3,(H,28,30)/b26-16+
InChIKeyVUMOKPLJAPXTDD-WGOQTCKBSA-N
XLogP3.15
TPSA85.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Caroverine
CID 65709
N-(2-(7-(4-fluoro-3-methylbenzylamino)-3-(4-methoxyphenyl)-2-oxoquinoxalin-1(2H)-yl)ethyl)acetamide
CID 44470237
3-[(4-Methoxyphenyl)methyl]-2(1H)-quinoxalinone
CID 9269643
Caroverine Hydrochloride
CID 3043582
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9419018
(3Z)-3-{2-[(4-methoxyphenyl)acetyl]hydrazinylidene}-N-methyl-N-phenylbutanamide
CID 6385478
2-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
CID 9806981
N-(2-(3-(4-methoxyphenyl)-7-(3-methylbenzylamino)-2-oxoquinoxalin-1(2H)-yl)ethyl)acetamide
CID 44470234
N-[2-(4-methoxyphenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 2096187
N-[(4-methoxyphenyl)methyl]-2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)acetamide
CID 3231126
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 5344744
2-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]-N-[3-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
CID 11124276

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide (CID 118731268) is 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide is COc1ccc(/C=N/NC(=O)Cn2c(=O)c(Cc3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is VUMOKPLJAPXTDD-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-32-20-13-11-19(12-14-20)16-26-28-24(30)17-29-23-10-6-5-9-21(23)27-22(25(29)31)15-18-7-3-2-4-8-18/h2-14,16H,15,17H2,1H3,(H,28,30)/b26-16+.
What are the key properties of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 426.48 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 118731268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).