2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide

C25H22N4O3 — CID 136961530

IUPAC2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)c1ccc(O)cc1
InChIInChI=1S/C25H22N4O3/c1-17(19-11-13-20(30)14-12-19)27-28-24(31)16-29-23-10-6-5-9-21(23)26-22(25(29)32)15-18-7-3-2-4-8-18/h2-14,30H,15-16H2,1H3,(H,28,31)/b27-17+
InChIKeyIBLIJNULMVZBHH-WPWMEQJKSA-N
MW426.48 g/mol
LogP3.23
Rot. Bonds6

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

2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide (PubChem CID 136961530) 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)-1-(4-hydroxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
PubChem CID136961530
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)c1ccc(O)cc1
InChIInChI=1S/C25H22N4O3/c1-17(19-11-13-20(30)14-12-19)27-28-24(31)16-29-23-10-6-5-9-21(23)26-22(25(29)32)15-18-7-3-2-4-8-18/h2-14,30H,15-16H2,1H3,(H,28,31)/b27-17+
InChIKeyIBLIJNULMVZBHH-WPWMEQJKSA-N
XLogP3.23
TPSA96.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

N-benzyl-N-[4-(4-methoxyphenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 51361491
2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 118731268
2-[3-[2-(4-Hydroxyphenyl)ethyl]-2-oxoquinoxalin-1-yl]acetic acid
CID 118731564
2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136961529
2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 164617873
N-(4-hydroxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
CID 1125222
2-[3-(4-Hydroxyphenyl)-2-oxoquinoxalin-1-yl]acetic acid
CID 136961584
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 168271230
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 168282342
N-(4-hydroxyphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide
CID 177373845
N-(4-hydroxybenzyl)-1,3,4-triphenyl-4,5-dihydro-1H-pyrazole-5-carboxamide
CID 129848772
4-butyl-5-(4-fluorophenyl)-N-[(4-hydroxyphenyl)methyl]-3-methyl-2-phenyl-4H-pyrazole-3-carboxamide
CID 141751864

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide (CID 136961530) is 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide is C/C(=N\NC(=O)Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)c1ccc(O)cc1.
What is the InChIKey of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide?
The InChIKey is IBLIJNULMVZBHH-WPWMEQJKSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-17(19-11-13-20(30)14-12-19)27-28-24(31)16-29-23-10-6-5-9-21(23)26-22(25(29)32)15-18-7-3-2-4-8-18/h2-14,30H,15-16H2,1H3,(H,28,31)/b27-17+.
What are the key properties of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide?
2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide has a molecular weight of 426.48 g/mol, XLogP of 3.23, 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)-1-(4-hydroxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 136961530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).