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

C25H28N4O4 — CID 50815808

IUPAC4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESCCn1c(=O)c(=O)n(Cc2ccc(C(=O)NCCCN3CCCC3=O)cc2)c2ccccc21
InChIInChI=1S/C25H28N4O4/c1-2-28-20-7-3-4-8-21(20)29(25(33)24(28)32)17-18-10-12-19(13-11-18)23(31)26-14-6-16-27-15-5-9-22(27)30/h3-4,7-8,10-13H,2,5-6,9,14-17H2,1H3,(H,26,31)
InChIKeyRROGKZBTJXUHRX-UHFFFAOYSA-N
MW448.52 g/mol
LogP1.97
Rot. Bonds8

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

4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (PubChem CID 50815808) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
PubChem CID50815808
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESCCn1c(=O)c(=O)n(Cc2ccc(C(=O)NCCCN3CCCC3=O)cc2)c2ccccc21
InChIInChI=1S/C25H28N4O4/c1-2-28-20-7-3-4-8-21(20)29(25(33)24(28)32)17-18-10-12-19(13-11-18)23(31)26-14-6-16-27-15-5-9-22(27)30/h3-4,7-8,10-13H,2,5-6,9,14-17H2,1H3,(H,26,31)
InChIKeyRROGKZBTJXUHRX-UHFFFAOYSA-N
XLogP1.97
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide
CID 50815603
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide
CID 32745199
4-[(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 50817147
4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4789496
4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 92895110
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide
CID 47013997
N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 32686719
4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 86983246
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 22423329
4-cyano-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 39959545
N-[3-(dimethylamino)propyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 43910375

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The IUPAC name of 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (CID 50815808) is 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The canonical SMILES for 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is CCn1c(=O)c(=O)n(Cc2ccc(C(=O)NCCCN3CCCC3=O)cc2)c2ccccc21.
What is the InChIKey of 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The InChIKey is RROGKZBTJXUHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-2-28-20-7-3-4-8-21(20)29(25(33)24(28)32)17-18-10-12-19(13-11-18)23(31)26-14-6-16-27-15-5-9-22(27)30/h3-4,7-8,10-13H,2,5-6,9,14-17H2,1H3,(H,26,31).
What are the key properties of 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide has a molecular weight of 448.52 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is sourced from PubChem (CID 50815808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).