7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one

C16H17N3O — CID 24849157

IUPAC7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc(CN3CCCC3)ccc2n2cccc12
InChIInChI=1S/C16H17N3O/c20-16-15-4-3-9-19(15)14-6-5-12(10-13(14)17-16)11-18-7-1-2-8-18/h3-6,9-10H,1-2,7-8,11H2,(H,17,20)
InChIKeyZLYVTQGSZRQZLA-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.38
Rot. Bonds2

About 7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one

7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one (PubChem CID 24849157) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
PubChem CID24849157
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc(CN3CCCC3)ccc2n2cccc12
InChIInChI=1S/C16H17N3O/c20-16-15-4-3-9-19(15)14-6-5-12(10-13(14)17-16)11-18-7-1-2-8-18/h3-6,9-10H,1-2,7-8,11H2,(H,17,20)
InChIKeyZLYVTQGSZRQZLA-UHFFFAOYSA-N
XLogP2.38
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4H,5H-pyrrolo[1,2-a]quinoxalin-4-one
CID 2740936
3-{7-Fluoro-4-oxo-4H,5H-pyrrolo[1,2-A]quinoxalin-5-YL}-N-(2-phenylethyl)propanamide
CID 16017974
1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 2542487
N-(4-Ethylphenyl)-2-{4-oxo-4H,5H-pyrrolo[1,2-A]quinoxalin-5-YL}acetamide
CID 16018022
N-[2-(dimethylamino)ethyl]-2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)acetamide
CID 16018228
3,4-dihydro-1H-isoquinolin-2-yl-(1-methylpyrrol-2-yl)methanone
CID 24817907
N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 756105
2'-Benzylspiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
CID 10615876
2-Methyl-N-[4-(pyrrolo[1,2-a]quinoxalin-5(4H)-ylcarbonyl)phenyl]benzamide
CID 15340668
N-Butyl-N-ethyl-4-{4-oxo-4H,5H-pyrrolo[1,2-A]quinoxalin-5-YL}butanamide
CID 16018098
Isoindolo[2,1-a]quinoxalin-6(5h)-one
CID 24205090
6-methylisoindolo[1,2-a]quinoxalin-4(5H)-one
CID 24205091

Frequently Asked Questions

What is the IUPAC name of 7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The IUPAC name of 7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one (CID 24849157) is 7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one is O=c1[nH]c2cc(CN3CCCC3)ccc2n2cccc12.
What is the InChIKey of 7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The InChIKey is ZLYVTQGSZRQZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16-15-4-3-9-19(15)14-6-5-12(10-13(14)17-16)11-18-7-1-2-8-18/h3-6,9-10H,1-2,7-8,11H2,(H,17,20).
What are the key properties of 7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one?
7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one has a molecular weight of 267.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 24849157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).