N,N-dimethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrrolidine-2-carboxamide

C17H22N4O3 — CID 47015502

IUPACN,N-dimethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1CC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H22N4O3/c1-19(2)17(24)14-8-5-9-20(14)11-16(23)21-10-15(22)18-12-6-3-4-7-13(12)21/h3-4,6-7,14H,5,8-11H2,1-2H3,(H,18,22)
InChIKeyPCMAEKLULKGCSB-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.52
Rot. Bonds3

About N,N-dimethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrrolidine-2-carboxamide

N,N-dimethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 47015502) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID47015502
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN,N-dimethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1CC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H22N4O3/c1-19(2)17(24)14-8-5-9-20(14)11-16(23)21-10-15(22)18-12-6-3-4-7-13(12)21/h3-4,6-7,14H,5,8-11H2,1-2H3,(H,18,22)
InChIKeyPCMAEKLULKGCSB-UHFFFAOYSA-N
XLogP0.52
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

4-[2-[(2R)-2-benzylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 32745687
4-[2-(2-benzylpyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 126783225
4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9440117
4-[2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 46980921
4-[2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 92612938
4-[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9440102
cyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 9265031
4-[2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 84909068
4-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 126783324
1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-2-carboxylic acid
CID 119176060
(3S)-1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-3-carboxylic acid
CID 119173948
4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one
CID 26860756

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrrolidine-2-carboxamide (CID 47015502) is N,N-dimethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1CC(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of N,N-dimethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is PCMAEKLULKGCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-19(2)17(24)14-8-5-9-20(14)11-16(23)21-10-15(22)18-12-6-3-4-7-13(12)21/h3-4,6-7,14H,5,8-11H2,1-2H3,(H,18,22).
What are the key properties of N,N-dimethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrrolidine-2-carboxamide?
N,N-dimethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 47015502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).