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

C24H20N4O3 — CID 164617873

IUPAC2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)N/N=C/c1ccccc1O
InChIInChI=1S/C24H20N4O3/c29-22-13-7-4-10-18(22)15-25-27-23(30)16-28-21-12-6-5-11-19(21)26-20(24(28)31)14-17-8-2-1-3-9-17/h1-13,15,29H,14,16H2,(H,27,30)/b25-15+
InChIKeyIVFYJUSWXKVKCL-MFKUBSTISA-N
MW412.45 g/mol
LogP2.84
Rot. Bonds6

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

2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 164617873) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID164617873
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)N/N=C/c1ccccc1O
InChIInChI=1S/C24H20N4O3/c29-22-13-7-4-10-18(22)15-25-27-23(30)16-28-21-12-6-5-11-19(21)26-20(24(28)31)14-17-8-2-1-3-9-17/h1-13,15,29H,14,16H2,(H,27,30)/b25-15+
InChIKeyIVFYJUSWXKVKCL-MFKUBSTISA-N
XLogP2.84
TPSA96.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 118731268
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 135520042
N'-[(1E)-(2-hydroxyphenyl)methylidene]-2-(1,2,3,4-tetrahydroquinolin-1-yl)acetohydrazide
CID 135521563
2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136961529
2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 136961530
4-Phenyl-1-piperazineacetic acid ((2-hydroxyphenyl)(phenylazo)methylene)hydrazide
CID 135853840
N-(4-Ethylphenyl)-2-(2-(2-hydroxybenzylidene)hydrazino)-2-oxoacetamide
CID 135531554
6-(4-(2-Hydroxybenzylamino)phenyl)-4,5-dihydropyridazin-3(2h)-one
CID 76312060
(2E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide
CID 155542356
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 168282342
N-[4-[[(2-hydroxybenzoyl)amino]carbamoyl]phenyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 172444065
N'-[(E)-(2-Hydroxyphenyl)methylidene]-2-(phenylamino)butanehydrazide
CID 135683875

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 164617873) is 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is O=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)N/N=C/c1ccccc1O.
What is the InChIKey of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is IVFYJUSWXKVKCL-MFKUBSTISA-N. The full InChI is InChI=1S/C24H20N4O3/c29-22-13-7-4-10-18(22)15-25-27-23(30)16-28-21-12-6-5-11-19(21)26-20(24(28)31)14-17-8-2-1-3-9-17/h1-13,15,29H,14,16H2,(H,27,30)/b25-15+.
What are the key properties of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 412.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 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)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 164617873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).