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

C26H23FN4 — CID 10740318

IUPAC9-fluoro-4-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
SMILESFc1cccc2nc(N3CCN(Cc4ccc5ccccc5c4)CC3)c3cccn3c12
InChIInChI=1S/C26H23FN4/c27-22-7-3-8-23-25(22)31-12-4-9-24(31)26(28-23)30-15-13-29(14-16-30)18-19-10-11-20-5-1-2-6-21(20)17-19/h1-12,17H,13-16,18H2
InChIKeyDATORPPFSLPRCN-UHFFFAOYSA-N
MW410.50 g/mol
LogP5.10
Rot. Bonds3

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

9-fluoro-4-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline (PubChem CID 10740318) has the molecular formula C26H23FN4 and a molecular weight of 410.50 g/mol. Its IUPAC name is 9-fluoro-4-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name9-fluoro-4-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
PubChem CID10740318
Molecular FormulaC26H23FN4
Molecular Weight410.50 g/mol
Exact Mass410.19
IUPAC Name9-fluoro-4-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
SMILESFc1cccc2nc(N3CCN(Cc4ccc5ccccc5c4)CC3)c3cccn3c12
InChIInChI=1S/C26H23FN4/c27-22-7-3-8-23-25(22)31-12-4-9-24(31)26(28-23)30-15-13-29(14-16-30)18-19-10-11-20-5-1-2-6-21(20)17-19/h1-12,17H,13-16,18H2
InChIKeyDATORPPFSLPRCN-UHFFFAOYSA-N
XLogP5.10
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-4-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 9-fluoro-4-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline (CID 10740318) is 9-fluoro-4-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 9-fluoro-4-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 9-fluoro-4-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline is Fc1cccc2nc(N3CCN(Cc4ccc5ccccc5c4)CC3)c3cccn3c12.
What is the InChIKey of 9-fluoro-4-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The InChIKey is DATORPPFSLPRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4/c27-22-7-3-8-23-25(22)31-12-4-9-24(31)26(28-23)30-15-13-29(14-16-30)18-19-10-11-20-5-1-2-6-21(20)17-19/h1-12,17H,13-16,18H2.
What are the key properties of 9-fluoro-4-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
9-fluoro-4-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline has a molecular weight of 410.50 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-4-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 10740318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).