4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline

C20H20N4S — CID 10712742

IUPAC4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
SMILESc1csc(CN2CCN(c3nc4ccccc4n4cccc34)CC2)c1
InChIInChI=1S/C20H20N4S/c1-2-7-18-17(6-1)21-20(19-8-3-9-24(18)19)23-12-10-22(11-13-23)15-16-5-4-14-25-16/h1-9,14H,10-13,15H2
InChIKeyJMVZOOUKZXRJNT-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.87
Rot. Bonds3

About 4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline

4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline (PubChem CID 10712742) has the molecular formula C20H20N4S and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
PubChem CID10712742
Molecular FormulaC20H20N4S
Molecular Weight348.47 g/mol
Exact Mass348.14
IUPAC Name4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
SMILESc1csc(CN2CCN(c3nc4ccccc4n4cccc34)CC2)c1
InChIInChI=1S/C20H20N4S/c1-2-7-18-17(6-1)21-20(19-8-3-9-24(18)19)23-12-10-22(11-13-23)15-16-5-4-14-25-16/h1-9,14H,10-13,15H2
InChIKeyJMVZOOUKZXRJNT-UHFFFAOYSA-N
XLogP3.87
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline (CID 10712742) is 4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline is c1csc(CN2CCN(c3nc4ccccc4n4cccc34)CC2)c1.
What is the InChIKey of 4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The InChIKey is JMVZOOUKZXRJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4S/c1-2-7-18-17(6-1)21-20(19-8-3-9-24(18)19)23-12-10-22(11-13-23)15-16-5-4-14-25-16/h1-9,14H,10-13,15H2.
What are the key properties of 4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline has a molecular weight of 348.47 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 10712742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).