4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide

C26H20N4O5 — CID 55750721

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
SMILESO=C1CN(C(=O)c2ccc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2)c2ccccc2N1
InChIInChI=1S/C26H20N4O5/c31-22-15-29(21-4-2-1-3-20(21)28-22)26(35)17-5-9-18(10-6-17)27-25(34)16-7-11-19(12-8-16)30-23(32)13-14-24(30)33/h1-12H,13-15H2,(H,27,34)(H,28,31)
InChIKeyFWEDIHLDQRAYSP-UHFFFAOYSA-N
MW468.47 g/mol
LogP3.19
Rot. Bonds4

About 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide

4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide (PubChem CID 55750721) has the molecular formula C26H20N4O5 and a molecular weight of 468.47 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
PubChem CID55750721
Molecular FormulaC26H20N4O5
Molecular Weight468.47 g/mol
Exact Mass468.14
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
SMILESO=C1CN(C(=O)c2ccc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2)c2ccccc2N1
InChIInChI=1S/C26H20N4O5/c31-22-15-29(21-4-2-1-3-20(21)28-22)26(35)17-5-9-18(10-6-17)27-25(34)16-7-11-19(12-8-16)30-23(32)13-14-24(30)33/h1-12H,13-15H2,(H,27,34)(H,28,31)
InChIKeyFWEDIHLDQRAYSP-UHFFFAOYSA-N
XLogP3.19
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(methylsulfonylmethyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751111
N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55798615
3-acetamido-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751098
3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55750751
N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55750902
2,3-dichloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751105
2,3-dimethyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55798550
4-chloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 55750839
3-(cyanomethyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 78891272
1-(4-fluorophenyl)-5-methyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-1,2,4-triazole-3-carboxamide
CID 55751191
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
(E)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-phenylprop-2-enamide
CID 55750852

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide (CID 55750721) is 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide is O=C1CN(C(=O)c2ccc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2)c2ccccc2N1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide?
The InChIKey is FWEDIHLDQRAYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O5/c31-22-15-29(21-4-2-1-3-20(21)28-22)26(35)17-5-9-18(10-6-17)27-25(34)16-7-11-19(12-8-16)30-23(32)13-14-24(30)33/h1-12H,13-15H2,(H,27,34)(H,28,31).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide has a molecular weight of 468.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 55750721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).