1-methyl-4-(2-pyrrolidin-2-ylethyl)-3H-quinoxalin-2-one

C15H21N3O — CID 117030800

IUPAC1-methyl-4-(2-pyrrolidin-2-ylethyl)-3H-quinoxalin-2-one
SMILESCN1C(=O)CN(CCC2CCCN2)c2ccccc21
InChIInChI=1S/C15H21N3O/c1-17-13-6-2-3-7-14(13)18(11-15(17)19)10-8-12-5-4-9-16-12/h2-3,6-7,12,16H,4-5,8-11H2,1H3
InChIKeyGFJGANKKIMRETM-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.61
Rot. Bonds3

About 1-methyl-4-(2-pyrrolidin-2-ylethyl)-3H-quinoxalin-2-one

1-methyl-4-(2-pyrrolidin-2-ylethyl)-3H-quinoxalin-2-one (PubChem CID 117030800) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-methyl-4-(2-pyrrolidin-2-ylethyl)-3H-quinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-4-(2-pyrrolidin-2-ylethyl)-3H-quinoxalin-2-one
PubChem CID117030800
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-methyl-4-(2-pyrrolidin-2-ylethyl)-3H-quinoxalin-2-one
SMILESCN1C(=O)CN(CCC2CCCN2)c2ccccc21
InChIInChI=1S/C15H21N3O/c1-17-13-6-2-3-7-14(13)18(11-15(17)19)10-8-12-5-4-9-16-12/h2-3,6-7,12,16H,4-5,8-11H2,1H3
InChIKeyGFJGANKKIMRETM-UHFFFAOYSA-N
XLogP1.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-piperidin-2-ylethyl)-3H-isoindol-1-one
CID 117030133
1-methyl-4-(oxolan-2-ylmethyl)-3H-quinoxalin-2-one
CID 117006680
4-(2-piperidin-2-ylethyl)-1,4-benzoxazin-3-one
CID 61348095
1-methyl-4-(2-pyrrolidin-2-ylphenyl)piperazine-2,6-dione
CID 117436069
4-methyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one
CID 63104430
6-bromo-1-(2-pyrrolidin-2-ylethyl)-3,4-dihydroquinoxalin-2-one
CID 117030909
methyl 2-(4-methyl-3-oxo-2H-quinoxalin-1-yl)acetate
CID 117030796
4-tert-butyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one
CID 113421171
6-methyl-1-(2-pyrrolidin-2-ylethyl)-3,4-dihydro-2H-quinoline
CID 61365081
3-methyl-1-(3-pyrrolidin-2-ylpropyl)pyridin-2-one
CID 63172875
1-(piperidin-2-ylmethyl)-3,4-dihydroquinoxalin-2-one
CID 117030559
1-(2-piperidin-2-ylethyl)-4-propylimidazolidin-2-one
CID 116980617

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-pyrrolidin-2-ylethyl)-3H-quinoxalin-2-one?
The IUPAC name of 1-methyl-4-(2-pyrrolidin-2-ylethyl)-3H-quinoxalin-2-one (CID 117030800) is 1-methyl-4-(2-pyrrolidin-2-ylethyl)-3H-quinoxalin-2-one.
What is the SMILES notation for 1-methyl-4-(2-pyrrolidin-2-ylethyl)-3H-quinoxalin-2-one?
The canonical SMILES for 1-methyl-4-(2-pyrrolidin-2-ylethyl)-3H-quinoxalin-2-one is CN1C(=O)CN(CCC2CCCN2)c2ccccc21.
What is the InChIKey of 1-methyl-4-(2-pyrrolidin-2-ylethyl)-3H-quinoxalin-2-one?
The InChIKey is GFJGANKKIMRETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17-13-6-2-3-7-14(13)18(11-15(17)19)10-8-12-5-4-9-16-12/h2-3,6-7,12,16H,4-5,8-11H2,1H3.
What are the key properties of 1-methyl-4-(2-pyrrolidin-2-ylethyl)-3H-quinoxalin-2-one?
1-methyl-4-(2-pyrrolidin-2-ylethyl)-3H-quinoxalin-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-pyrrolidin-2-ylethyl)-3H-quinoxalin-2-one is sourced from PubChem (CID 117030800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).