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

C20H19FN4S — CID 10832725

IUPAC9-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
SMILESFc1cccc2nc(N3CCN(Cc4cccs4)CC3)c3cccn3c12
InChIInChI=1S/C20H19FN4S/c21-16-5-1-6-17-19(16)25-8-2-7-18(25)20(22-17)24-11-9-23(10-12-24)14-15-4-3-13-26-15/h1-8,13H,9-12,14H2
InChIKeyWELRCAIEBXBFRT-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.01
Rot. Bonds3

About 9-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline

9-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline (PubChem CID 10832725) has the molecular formula C20H19FN4S and a molecular weight of 366.47 g/mol. Its IUPAC name is 9-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name9-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
PubChem CID10832725
Molecular FormulaC20H19FN4S
Molecular Weight366.47 g/mol
Exact Mass366.13
IUPAC Name9-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
SMILESFc1cccc2nc(N3CCN(Cc4cccs4)CC3)c3cccn3c12
InChIInChI=1S/C20H19FN4S/c21-16-5-1-6-17-19(16)25-8-2-7-18(25)20(22-17)24-11-9-23(10-12-24)14-15-4-3-13-26-15/h1-8,13H,9-12,14H2
InChIKeyWELRCAIEBXBFRT-UHFFFAOYSA-N
XLogP4.01
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 9-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline (CID 10832725) is 9-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 9-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 9-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline is Fc1cccc2nc(N3CCN(Cc4cccs4)CC3)c3cccn3c12.
What is the InChIKey of 9-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The InChIKey is WELRCAIEBXBFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4S/c21-16-5-1-6-17-19(16)25-8-2-7-18(25)20(22-17)24-11-9-23(10-12-24)14-15-4-3-13-26-15/h1-8,13H,9-12,14H2.
What are the key properties of 9-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
9-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline has a molecular weight of 366.47 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 10832725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).