2-(6-benzoyl-3-methyl-2-oxoquinoxalin-1-yl)-N-(benzylideneamino)acetamide

C25H20N4O3 — CID 23242066

IUPAC2-(6-benzoyl-3-methyl-2-oxoquinoxalin-1-yl)-N-(benzylideneamino)acetamide
SMILESCc1nc2cc(C(=O)c3ccccc3)ccc2n(CC(=O)NN=Cc2ccccc2)c1=O
InChIInChI=1S/C25H20N4O3/c1-17-25(32)29(16-23(30)28-26-15-18-8-4-2-5-9-18)22-13-12-20(14-21(22)27-17)24(31)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,28,30)
InChIKeyUYOYFIDCMRZNQP-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.09
Rot. Bonds6

About 2-(6-benzoyl-3-methyl-2-oxoquinoxalin-1-yl)-N-(benzylideneamino)acetamide

2-(6-benzoyl-3-methyl-2-oxoquinoxalin-1-yl)-N-(benzylideneamino)acetamide (PubChem CID 23242066) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-(6-benzoyl-3-methyl-2-oxoquinoxalin-1-yl)-N-(benzylideneamino)acetamide.

Molecular Properties

Compound Name2-(6-benzoyl-3-methyl-2-oxoquinoxalin-1-yl)-N-(benzylideneamino)acetamide
PubChem CID23242066
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Name2-(6-benzoyl-3-methyl-2-oxoquinoxalin-1-yl)-N-(benzylideneamino)acetamide
SMILESCc1nc2cc(C(=O)c3ccccc3)ccc2n(CC(=O)NN=Cc2ccccc2)c1=O
InChIInChI=1S/C25H20N4O3/c1-17-25(32)29(16-23(30)28-26-15-18-8-4-2-5-9-18)22-13-12-20(14-21(22)27-17)24(31)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,28,30)
InChIKeyUYOYFIDCMRZNQP-UHFFFAOYSA-N
XLogP3.09
TPSA93.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

N-[(2-chlorophenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 75150430
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 127033876
N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 4173634
N-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 3673852
1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
N-[(Z)-(3-fluorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121419
1-ethyl-2-methyl-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzimidazole-5-carboxamide
CID 4210674
2-(3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide
CID 14616290
4-[(Z)-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 6085667
N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7580923
N-[(4-methylphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 70689683
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 9121382

Frequently Asked Questions

What is the IUPAC name of 2-(6-benzoyl-3-methyl-2-oxoquinoxalin-1-yl)-N-(benzylideneamino)acetamide?
The IUPAC name of 2-(6-benzoyl-3-methyl-2-oxoquinoxalin-1-yl)-N-(benzylideneamino)acetamide (CID 23242066) is 2-(6-benzoyl-3-methyl-2-oxoquinoxalin-1-yl)-N-(benzylideneamino)acetamide.
What is the SMILES notation for 2-(6-benzoyl-3-methyl-2-oxoquinoxalin-1-yl)-N-(benzylideneamino)acetamide?
The canonical SMILES for 2-(6-benzoyl-3-methyl-2-oxoquinoxalin-1-yl)-N-(benzylideneamino)acetamide is Cc1nc2cc(C(=O)c3ccccc3)ccc2n(CC(=O)NN=Cc2ccccc2)c1=O.
What is the InChIKey of 2-(6-benzoyl-3-methyl-2-oxoquinoxalin-1-yl)-N-(benzylideneamino)acetamide?
The InChIKey is UYOYFIDCMRZNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c1-17-25(32)29(16-23(30)28-26-15-18-8-4-2-5-9-18)22-13-12-20(14-21(22)27-17)24(31)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,28,30).
What are the key properties of 2-(6-benzoyl-3-methyl-2-oxoquinoxalin-1-yl)-N-(benzylideneamino)acetamide?
2-(6-benzoyl-3-methyl-2-oxoquinoxalin-1-yl)-N-(benzylideneamino)acetamide has a molecular weight of 424.46 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzoyl-3-methyl-2-oxoquinoxalin-1-yl)-N-(benzylideneamino)acetamide is sourced from PubChem (CID 23242066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).