2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide

C20H24N4O2 — CID 22522552

IUPAC2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
SMILESO=C(Cn1c(=O)c2cccn2c2ccccc21)NCCCN1CCCC1
InChIInChI=1S/C20H24N4O2/c25-19(21-10-6-13-22-11-3-4-12-22)15-24-17-8-2-1-7-16(17)23-14-5-9-18(23)20(24)26/h1-2,5,7-9,14H,3-4,6,10-13,15H2,(H,21,25)
InChIKeyIJACJRVWMKOYGH-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.86
Rot. Bonds6

About 2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide

2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 22522552) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID22522552
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
SMILESO=C(Cn1c(=O)c2cccn2c2ccccc21)NCCCN1CCCC1
InChIInChI=1S/C20H24N4O2/c25-19(21-10-6-13-22-11-3-4-12-22)15-24-17-8-2-1-7-16(17)23-14-5-9-18(23)20(24)26/h1-2,5,7-9,14H,3-4,6,10-13,15H2,(H,21,25)
InChIKeyIJACJRVWMKOYGH-UHFFFAOYSA-N
XLogP1.86
TPSA58.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(azepan-1-yl)propyl]-2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 22580628
N-[3-(4-methylpiperazin-1-yl)propyl]-2-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
CID 22553432
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
CID 22553448
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 22522650
N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-2-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
CID 44828480
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357022
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 46357370
3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 50815536
2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acetamide
CID 22514494
2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 122174616
2-(12-bromo-7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide
CID 45100475
2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-phenylethyl)acetamide
CID 22522681

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide (CID 22522552) is 2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide is O=C(Cn1c(=O)c2cccn2c2ccccc21)NCCCN1CCCC1.
What is the InChIKey of 2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is IJACJRVWMKOYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-19(21-10-6-13-22-11-3-4-12-22)15-24-17-8-2-1-7-16(17)23-14-5-9-18(23)20(24)26/h1-2,5,7-9,14H,3-4,6,10-13,15H2,(H,21,25).
What are the key properties of 2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 352.44 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 22522552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).