1-(2-chlorophenyl)-4-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyrrolidin-2-one

C22H20ClN5O2 — CID 24628036

IUPAC1-(2-chlorophenyl)-4-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyrrolidin-2-one
SMILESCN1CCN(C(=O)C2CC(=O)N(c3ccccc3Cl)C2)c2nc3ccccc3nc21
InChIInChI=1S/C22H20ClN5O2/c1-26-10-11-27(21-20(26)24-16-7-3-4-8-17(16)25-21)22(30)14-12-19(29)28(13-14)18-9-5-2-6-15(18)23/h2-9,14H,10-13H2,1H3
InChIKeyYSXGKRNOQYKMTD-UHFFFAOYSA-N
MW421.89 g/mol
LogP3.12
Rot. Bonds2

About 1-(2-chlorophenyl)-4-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyrrolidin-2-one

1-(2-chlorophenyl)-4-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyrrolidin-2-one (PubChem CID 24628036) has the molecular formula C22H20ClN5O2 and a molecular weight of 421.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyrrolidin-2-one
PubChem CID24628036
Molecular FormulaC22H20ClN5O2
Molecular Weight421.89 g/mol
Exact Mass421.13
IUPAC Name1-(2-chlorophenyl)-4-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyrrolidin-2-one
SMILESCN1CCN(C(=O)C2CC(=O)N(c3ccccc3Cl)C2)c2nc3ccccc3nc21
InChIInChI=1S/C22H20ClN5O2/c1-26-10-11-27(21-20(26)24-16-7-3-4-8-17(16)25-21)22(30)14-12-19(29)28(13-14)18-9-5-2-6-15(18)23/h2-9,14H,10-13H2,1H3
InChIKeyYSXGKRNOQYKMTD-UHFFFAOYSA-N
XLogP3.12
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.89
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-4-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline-5-carbonyl)pyrrolidin-2-one
CID 42892227
1-(2-chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 84504102
(4S)-1-benzyl-4-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline-5-carbonyl)pyrrolidin-2-one
CID 27674306
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
1-(4-chlorophenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108809896
1-(2-chlorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 112767128
1-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 32978569
(3S)-1-[(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703341
N'-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide
CID 46652377
(2,5-dichlorophenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
CID 16609536
1-(2-chlorophenyl)-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43045456
1-(2-chlorophenyl)-4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 86958384

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyrrolidin-2-one (CID 24628036) is 1-(2-chlorophenyl)-4-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyrrolidin-2-one is CN1CCN(C(=O)C2CC(=O)N(c3ccccc3Cl)C2)c2nc3ccccc3nc21.
What is the InChIKey of 1-(2-chlorophenyl)-4-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyrrolidin-2-one?
The InChIKey is YSXGKRNOQYKMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2/c1-26-10-11-27(21-20(26)24-16-7-3-4-8-17(16)25-21)22(30)14-12-19(29)28(13-14)18-9-5-2-6-15(18)23/h2-9,14H,10-13H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-4-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyrrolidin-2-one?
1-(2-chlorophenyl)-4-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyrrolidin-2-one has a molecular weight of 421.89 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 24628036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).