N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide

C20H17N5O4 — CID 136577009

IUPACN-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCN1CC(=O)N(c2cccc(NC(=O)Cn3c(=O)cnc4ccccc43)c2)C1=O
InChIInChI=1S/C20H17N5O4/c1-23-12-19(28)25(20(23)29)14-6-4-5-13(9-14)22-17(26)11-24-16-8-3-2-7-15(16)21-10-18(24)27/h2-10H,11-12H2,1H3,(H,22,26)
InChIKeyAQEUDJBIIGLLOA-UHFFFAOYSA-N
MW391.39 g/mol
LogP1.43
Rot. Bonds4

About N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide

N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 136577009) has the molecular formula C20H17N5O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID136577009
Molecular FormulaC20H17N5O4
Molecular Weight391.39 g/mol
Exact Mass391.13
IUPAC NameN-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCN1CC(=O)N(c2cccc(NC(=O)Cn3c(=O)cnc4ccccc43)c2)C1=O
InChIInChI=1S/C20H17N5O4/c1-23-12-19(28)25(20(23)29)14-6-4-5-13(9-14)22-17(26)11-24-16-8-3-2-7-15(16)21-10-18(24)27/h2-10H,11-12H2,1H3,(H,22,26)
InChIKeyAQEUDJBIIGLLOA-UHFFFAOYSA-N
XLogP1.43
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 2711463
2-(2-oxoquinoxalin-1-yl)-N-phenylacetamide
CID 4805436
2-(2-oxoquinoxalin-1-yl)-N-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]phenyl]acetamide
CID 166181883
N-[3-(hydroxymethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 110877124
N-methyl-3-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzamide
CID 18146174
N-[4-(azepan-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 9299745
methyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 26098218
methyl 2-fluoro-5-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 25480937
N-(2,6-difluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023290
2-(2-oxoquinoxalin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8023093
N-(4-butylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 35013689
2-(2-oxoquinoxalin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 8891989

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide (CID 136577009) is N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide is CN1CC(=O)N(c2cccc(NC(=O)Cn3c(=O)cnc4ccccc43)c2)C1=O.
What is the InChIKey of N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is AQEUDJBIIGLLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4/c1-23-12-19(28)25(20(23)29)14-6-4-5-13(9-14)22-17(26)11-24-16-8-3-2-7-15(16)21-10-18(24)27/h2-10H,11-12H2,1H3,(H,22,26).
What are the key properties of N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 391.39 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 136577009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).