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

C24H19ClN4O2 — CID 118731269

IUPAC2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide
SMILESO=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C24H19ClN4O2/c25-19-12-10-18(11-13-19)15-26-28-23(30)16-29-22-9-5-4-8-20(22)27-21(24(29)31)14-17-6-2-1-3-7-17/h1-13,15H,14,16H2,(H,28,30)/b26-15+
InChIKeyRCDOIMGQNTWHHM-CVKSISIWSA-N
MW430.90 g/mol
LogP3.79
Rot. Bonds6

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

2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide (PubChem CID 118731269) has the molecular formula C24H19ClN4O2 and a molecular weight of 430.90 g/mol. Its IUPAC name is 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide
PubChem CID118731269
Molecular FormulaC24H19ClN4O2
Molecular Weight430.90 g/mol
Exact Mass430.12
IUPAC Name2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide
SMILESO=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C24H19ClN4O2/c25-19-12-10-18(11-13-19)15-26-28-23(30)16-29-22-9-5-4-8-20(22)27-21(24(29)31)14-17-6-2-1-3-7-17/h1-13,15H,14,16H2,(H,28,30)/b26-15+
InChIKeyRCDOIMGQNTWHHM-CVKSISIWSA-N
XLogP3.79
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.90
LogP ≤ 53.79
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-[4-[(4-chlorophenyl)methyl]-1-oxophthalazin-2-yl]-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 168282377
N-{2-[2-(2-chlorobenzylidene)hydrazino]-2-oxoethyl}-N-(2-methylphenyl)benzamide
CID 9725792
N-(3-Chlorophenyl)-2-[2-oxo-3-(2-propanamidophenyl)-1,2-dihydroquinoxalin-1-YL]butanamide
CID 16016382
N-(5-Chloro-2-methylphenyl)-2-[3-(2-acetamido-5-methylphenyl)-2-oxo-1,2-dihydroquinoxalin-1-YL]acetamide
CID 16016558
N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-chlorobenzohydrazide
CID 118731260
N-[(E)-benzylideneamino]-2-(3-benzyl-2-oxoquinoxalin-1-yl)acetamide
CID 118731266
2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-bromophenyl)methylideneamino]acetamide
CID 118731270
2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
CID 118731271
(3E)-N-(4-chlorobenzyl)-3-{[[(4-ethylphenyl)amino](oxo)acetyl]hydrazono}butanamide
CID 6173082
N-{2-[2-(4-chlorobenzylidene)hydrazino]-2-oxoethyl}-N-(2-methylphenyl)benzamide
CID 9725791
N-(3-Chloro-2-methylphenyl)-2-[2-oxo-3-(2-propanamidophenyl)-1,2-dihydroquinoxalin-1-YL]propanamide
CID 16016384

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide (CID 118731269) is 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide is O=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)N/N=C/c1ccc(Cl)cc1.
What is the InChIKey of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide?
The InChIKey is RCDOIMGQNTWHHM-CVKSISIWSA-N. The full InChI is InChI=1S/C24H19ClN4O2/c25-19-12-10-18(11-13-19)15-26-28-23(30)16-29-22-9-5-4-8-20(22)27-21(24(29)31)14-17-6-2-1-3-7-17/h1-13,15H,14,16H2,(H,28,30)/b26-15+.
What are the key properties of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide?
2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide has a molecular weight of 430.90 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 118731269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).