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

C18H22N4 — CID 10541849

IUPAC4-(4-propylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
SMILESCCCN1CCN(c2nc3ccccc3n3cccc23)CC1
InChIInChI=1S/C18H22N4/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/h3-8,10H,2,9,11-14H2,1H3
InChIKeyNXGVZPZAGBGQQY-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.02
Rot. Bonds3

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

4-(4-propylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline (PubChem CID 10541849) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-(4-propylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name4-(4-propylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
PubChem CID10541849
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name4-(4-propylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
SMILESCCCN1CCN(c2nc3ccccc3n3cccc23)CC1
InChIInChI=1S/C18H22N4/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/h3-8,10H,2,9,11-14H2,1H3
InChIKeyNXGVZPZAGBGQQY-UHFFFAOYSA-N
XLogP3.02
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 4-(4-propylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline (CID 10541849) is 4-(4-propylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 4-(4-propylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 4-(4-propylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline is CCCN1CCN(c2nc3ccccc3n3cccc23)CC1.
What is the InChIKey of 4-(4-propylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The InChIKey is NXGVZPZAGBGQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/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/h3-8,10H,2,9,11-14H2,1H3.
What are the key properties of 4-(4-propylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
4-(4-propylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline has a molecular weight of 294.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 10541849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).