4-(4-prop-2-enylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline

C18H20N4 — CID 10613609

IUPAC4-(4-prop-2-enylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
SMILESC=CCN1CCN(c2nc3ccccc3n3cccc23)CC1
InChIInChI=1S/C18H20N4/c1-2-9-20-11-13-21(14-12-20)18-17-8-5-10-22(17)16-7-4-3-6-15(16)19-18/h2-8,10H,1,9,11-14H2
InChIKeyUONOIDMXUFHKRP-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.80
Rot. Bonds3

About 4-(4-prop-2-enylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline

4-(4-prop-2-enylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline (PubChem CID 10613609) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 4-(4-prop-2-enylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name4-(4-prop-2-enylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
PubChem CID10613609
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name4-(4-prop-2-enylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
SMILESC=CCN1CCN(c2nc3ccccc3n3cccc23)CC1
InChIInChI=1S/C18H20N4/c1-2-9-20-11-13-21(14-12-20)18-17-8-5-10-22(17)16-7-4-3-6-15(16)19-18/h2-8,10H,1,9,11-14H2
InChIKeyUONOIDMXUFHKRP-UHFFFAOYSA-N
XLogP2.80
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-prop-2-enylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 4-(4-prop-2-enylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline (CID 10613609) is 4-(4-prop-2-enylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 4-(4-prop-2-enylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 4-(4-prop-2-enylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline is C=CCN1CCN(c2nc3ccccc3n3cccc23)CC1.
What is the InChIKey of 4-(4-prop-2-enylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The InChIKey is UONOIDMXUFHKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-2-9-20-11-13-21(14-12-20)18-17-8-5-10-22(17)16-7-4-3-6-15(16)19-18/h2-8,10H,1,9,11-14H2.
What are the key properties of 4-(4-prop-2-enylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
4-(4-prop-2-enylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline has a molecular weight of 292.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-prop-2-enylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 10613609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).