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

C24H20N4O3 — CID 136961529

IUPAC2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C24H20N4O3/c29-19-12-10-18(11-13-19)15-25-27-23(30)16-28-22-9-5-4-8-20(22)26-21(24(28)31)14-17-6-2-1-3-7-17/h1-13,15,29H,14,16H2,(H,27,30)/b25-15+
InChIKeyIUSORKSBFXSAGR-MFKUBSTISA-N
MW412.45 g/mol
LogP2.84
Rot. Bonds6

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

2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 136961529) 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)-(4-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
PubChem CID136961529
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C24H20N4O3/c29-19-12-10-18(11-13-19)15-25-27-23(30)16-28-22-9-5-4-8-20(22)26-21(24(28)31)14-17-6-2-1-3-7-17/h1-13,15,29H,14,16H2,(H,27,30)/b25-15+
InChIKeyIUSORKSBFXSAGR-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_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
N-[(E)-benzylideneamino]-2-(3-benzyl-2-oxoquinoxalin-1-yl)acetamide
CID 118731266
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)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 136961530
2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 164617873
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-Ethylphenyl)-2-(2-(4-hydroxybenzylidene)hydrazino)-2-oxoacetamide
CID 135583641
N-(4-hydroxybenzyl)-1,3,4-triphenyl-4,5-dihydro-1H-pyrazole-5-carboxamide
CID 129848772
4-butyl-5-(4-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-methyl-2-phenyl-4H-pyrazole-3-carboxamide
CID 141751886

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide (CID 136961529) is 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide is O=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)N/N=C/c1ccc(O)cc1.
What is the InChIKey of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is IUSORKSBFXSAGR-MFKUBSTISA-N. The full InChI is InChI=1S/C24H20N4O3/c29-19-12-10-18(11-13-19)15-25-27-23(30)16-28-22-9-5-4-8-20(22)26-21(24(28)31)14-17-6-2-1-3-7-17/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)-(4-hydroxyphenyl)methylideneamino]acetamide?
2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(E)-(4-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)-(4-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 136961529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).