4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide

C26H25N3O3 — CID 50815789

IUPAC4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide
SMILESCCn1c(=O)c(=O)n(Cc2ccc(C(=O)NCc3ccccc3C)cc2)c2ccccc21
InChIInChI=1S/C26H25N3O3/c1-3-28-22-10-6-7-11-23(22)29(26(32)25(28)31)17-19-12-14-20(15-13-19)24(30)27-16-21-9-5-4-8-18(21)2/h4-15H,3,16-17H2,1-2H3,(H,27,30)
InChIKeyPKLKGDCEIRTKGZ-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.47
Rot. Bonds6

About 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide

4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide (PubChem CID 50815789) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide
PubChem CID50815789
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide
SMILESCCn1c(=O)c(=O)n(Cc2ccc(C(=O)NCc3ccccc3C)cc2)c2ccccc21
InChIInChI=1S/C26H25N3O3/c1-3-28-22-10-6-7-11-23(22)29(26(32)25(28)31)17-19-12-14-20(15-13-19)24(30)27-16-21-9-5-4-8-18(21)2/h4-15H,3,16-17H2,1-2H3,(H,27,30)
InChIKeyPKLKGDCEIRTKGZ-UHFFFAOYSA-N
XLogP3.47
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide
CID 50815625
4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 50815790
N-[(2-chlorophenyl)methyl]-4-[(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)methyl]benzamide
CID 20933086
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 46357424
N-[(4-ethylphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide
CID 50815654
4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide
CID 50815603
4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide
CID 17485480
N-(furan-2-ylmethyl)-4-[[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 15995765
N-[(4-methoxyphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide
CID 50815605
4-benzyl-7-hydroxy-N-[(2-methylphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734579
4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 50815808
4-N-(4-ethylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046822

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide?
The IUPAC name of 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide (CID 50815789) is 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide is CCn1c(=O)c(=O)n(Cc2ccc(C(=O)NCc3ccccc3C)cc2)c2ccccc21.
What is the InChIKey of 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide?
The InChIKey is PKLKGDCEIRTKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-3-28-22-10-6-7-11-23(22)29(26(32)25(28)31)17-19-12-14-20(15-13-19)24(30)27-16-21-9-5-4-8-18(21)2/h4-15H,3,16-17H2,1-2H3,(H,27,30).
What are the key properties of 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide?
4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide has a molecular weight of 427.50 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide is sourced from PubChem (CID 50815789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).