7-methoxy-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline

C17H20N4O — CID 19978049

IUPAC7-methoxy-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
SMILESCOc1ccc2c(c1)nc(N1CCN(C)CC1)c1cccn12
InChIInChI=1S/C17H20N4O/c1-19-8-10-20(11-9-19)17-16-4-3-7-21(16)15-6-5-13(22-2)12-14(15)18-17/h3-7,12H,8-11H2,1-2H3
InChIKeyIJZZICZKIQBYDL-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.25
Rot. Bonds2

About 7-methoxy-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline

7-methoxy-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline (PubChem CID 19978049) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 7-methoxy-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name7-methoxy-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
PubChem CID19978049
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name7-methoxy-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
SMILESCOc1ccc2c(c1)nc(N1CCN(C)CC1)c1cccn12
InChIInChI=1S/C17H20N4O/c1-19-8-10-20(11-9-19)17-16-4-3-7-21(16)15-6-5-13(22-2)12-14(15)18-17/h3-7,12H,8-11H2,1-2H3
InChIKeyIJZZICZKIQBYDL-UHFFFAOYSA-N
XLogP2.25
TPSA33.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 7-methoxy-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline (CID 19978049) is 7-methoxy-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 7-methoxy-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 7-methoxy-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline is COc1ccc2c(c1)nc(N1CCN(C)CC1)c1cccn12.
What is the InChIKey of 7-methoxy-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The InChIKey is IJZZICZKIQBYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-19-8-10-20(11-9-19)17-16-4-3-7-21(16)15-6-5-13(22-2)12-14(15)18-17/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 7-methoxy-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
7-methoxy-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline has a molecular weight of 296.37 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 19978049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).