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

C16H18N4 — CID 10849394

IUPAC7-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline
SMILESCc1ccc2c(c1)nc(N1CCNCC1)c1cccn12
InChIInChI=1S/C16H18N4/c1-12-4-5-14-13(11-12)18-16(15-3-2-8-20(14)15)19-9-6-17-7-10-19/h2-5,8,11,17H,6-7,9-10H2,1H3
InChIKeyLCFCSDODEGYYOR-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.21
Rot. Bonds1

About 7-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline

7-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline (PubChem CID 10849394) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 7-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name7-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline
PubChem CID10849394
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name7-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline
SMILESCc1ccc2c(c1)nc(N1CCNCC1)c1cccn12
InChIInChI=1S/C16H18N4/c1-12-4-5-14-13(11-12)18-16(15-3-2-8-20(14)15)19-9-6-17-7-10-19/h2-5,8,11,17H,6-7,9-10H2,1H3
InChIKeyLCFCSDODEGYYOR-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 7-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline?
The IUPAC name of 7-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline (CID 10849394) is 7-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 7-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 7-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline is Cc1ccc2c(c1)nc(N1CCNCC1)c1cccn12.
What is the InChIKey of 7-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline?
The InChIKey is LCFCSDODEGYYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-12-4-5-14-13(11-12)18-16(15-3-2-8-20(14)15)19-9-6-17-7-10-19/h2-5,8,11,17H,6-7,9-10H2,1H3.
What are the key properties of 7-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline?
7-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 7-methyl-4-piperazin-1-ylpyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 10849394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).