2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide

C24H28N4O3 — CID 46357255

IUPAC2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
SMILESCCN1CCCC1CNC(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C24H28N4O3/c1-2-26-14-8-11-19(26)15-25-22(29)17-28-21-13-7-6-12-20(21)27(23(30)24(28)31)16-18-9-4-3-5-10-18/h3-7,9-10,12-13,19H,2,8,11,14-17H2,1H3,(H,25,29)
InChIKeyNVPQXYGUSSIZGV-UHFFFAOYSA-N
MW420.51 g/mol
LogP1.81
Rot. Bonds7

About 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide

2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide (PubChem CID 46357255) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
PubChem CID46357255
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
SMILESCCN1CCCC1CNC(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C24H28N4O3/c1-2-26-14-8-11-19(26)15-25-22(29)17-28-21-13-7-6-12-20(21)27(23(30)24(28)31)16-18-9-4-3-5-10-18/h3-7,9-10,12-13,19H,2,8,11,14-17H2,1H3,(H,25,29)
InChIKeyNVPQXYGUSSIZGV-UHFFFAOYSA-N
XLogP1.81
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 8839794
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 61399758
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
(3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 129424334
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 24706556
3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide
CID 119888709
(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-phenyl-2-pyrrol-1-ylpropanamide
CID 124878513
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-oxo-5-phenylpyrazin-1-yl)acetamide
CID 97264553
2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 94003929
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119952665

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide (CID 46357255) is 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide is CCN1CCCC1CNC(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
The InChIKey is NVPQXYGUSSIZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-2-26-14-8-11-19(26)15-25-22(29)17-28-21-13-7-6-12-20(21)27(23(30)24(28)31)16-18-9-4-3-5-10-18/h3-7,9-10,12-13,19H,2,8,11,14-17H2,1H3,(H,25,29).
What are the key properties of 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide has a molecular weight of 420.51 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide is sourced from PubChem (CID 46357255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).