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

C24H19BrN4O2 — CID 118731270

IUPAC2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-bromophenyl)methylideneamino]acetamide
SMILESO=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)N/N=C/c1ccc(Br)cc1
InChIInChI=1S/C24H19BrN4O2/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+
InChIKeyOXTGRPULCHZRRB-CVKSISIWSA-N
MW475.35 g/mol
LogP3.90
Rot. Bonds6

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

2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-bromophenyl)methylideneamino]acetamide (PubChem CID 118731270) has the molecular formula C24H19BrN4O2 and a molecular weight of 475.35 g/mol. Its IUPAC name is 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-bromophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-bromophenyl)methylideneamino]acetamide
PubChem CID118731270
Molecular FormulaC24H19BrN4O2
Molecular Weight475.35 g/mol
Exact Mass474.07
IUPAC Name2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-bromophenyl)methylideneamino]acetamide
SMILESO=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)N/N=C/c1ccc(Br)cc1
InChIInChI=1S/C24H19BrN4O2/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+
InChIKeyOXTGRPULCHZRRB-CVKSISIWSA-N
XLogP3.90
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.35
LogP ≤ 53.90
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-bromophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-bromophenyl)methylideneamino]acetamide (CID 118731270) is 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-bromophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-bromophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-bromophenyl)methylideneamino]acetamide is O=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)N/N=C/c1ccc(Br)cc1.
What is the InChIKey of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-bromophenyl)methylideneamino]acetamide?
The InChIKey is OXTGRPULCHZRRB-CVKSISIWSA-N. The full InChI is InChI=1S/C24H19BrN4O2/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-bromophenyl)methylideneamino]acetamide?
2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-bromophenyl)methylideneamino]acetamide has a molecular weight of 475.35 g/mol, XLogP of 3.90, 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-bromophenyl)methylideneamino]acetamide is sourced from PubChem (CID 118731270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).