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

C24H19N5O4 — CID 118731271

IUPAC2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
SMILESO=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)N/N=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H19N5O4/c30-23(27-25-15-18-10-12-19(13-11-18)29(32)33)16-28-22-9-5-4-8-20(22)26-21(24(28)31)14-17-6-2-1-3-7-17/h1-13,15H,14,16H2,(H,27,30)/b25-15+
InChIKeyKYMKWFKRVIGOTL-MFKUBSTISA-N
MW441.45 g/mol
LogP3.05
Rot. Bonds7

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

2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide (PubChem CID 118731271) has the molecular formula C24H19N5O4 and a molecular weight of 441.45 g/mol. Its IUPAC name is 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
PubChem CID118731271
Molecular FormulaC24H19N5O4
Molecular Weight441.45 g/mol
Exact Mass441.14
IUPAC Name2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
SMILESO=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)N/N=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H19N5O4/c30-23(27-25-15-18-10-12-19(13-11-18)29(32)33)16-28-22-9-5-4-8-20(22)26-21(24(28)31)14-17-6-2-1-3-7-17/h1-13,15H,14,16H2,(H,27,30)/b25-15+
InChIKeyKYMKWFKRVIGOTL-MFKUBSTISA-N
XLogP3.05
TPSA119.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide (CID 118731271) is 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide is O=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)N/N=C/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide?
The InChIKey is KYMKWFKRVIGOTL-MFKUBSTISA-N. The full InChI is InChI=1S/C24H19N5O4/c30-23(27-25-15-18-10-12-19(13-11-18)29(32)33)16-28-22-9-5-4-8-20(22)26-21(24(28)31)14-17-6-2-1-3-7-17/h1-13,15H,14,16H2,(H,27,30)/b25-15+.
What are the key properties of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide?
2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide has a molecular weight of 441.45 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 118731271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).