9-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline

C16H18N4 — CID 10683189

IUPAC9-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline
SMILESCc1cccc2nc(N3CCNCC3)c3cccn3c12
InChIInChI=1S/C16H18N4/c1-12-4-2-5-13-15(12)20-9-3-6-14(20)16(18-13)19-10-7-17-8-11-19/h2-6,9,17H,7-8,10-11H2,1H3
InChIKeyJLZQRIMIKJGBDI-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.21
Rot. Bonds1

About 9-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline

9-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline (PubChem CID 10683189) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 9-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name9-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline
PubChem CID10683189
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name9-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline
SMILESCc1cccc2nc(N3CCNCC3)c3cccn3c12
InChIInChI=1S/C16H18N4/c1-12-4-2-5-13-15(12)20-9-3-6-14(20)16(18-13)19-10-7-17-8-11-19/h2-6,9,17H,7-8,10-11H2,1H3
InChIKeyJLZQRIMIKJGBDI-UHFFFAOYSA-N
XLogP2.21
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline?
The IUPAC name of 9-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline (CID 10683189) is 9-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 9-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 9-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline is Cc1cccc2nc(N3CCNCC3)c3cccn3c12.
What is the InChIKey of 9-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline?
The InChIKey is JLZQRIMIKJGBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-12-4-2-5-13-15(12)20-9-3-6-14(20)16(18-13)19-10-7-17-8-11-19/h2-6,9,17H,7-8,10-11H2,1H3.
What are the key properties of 9-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline?
9-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline has a molecular weight of 266.35 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 10683189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).