4-[4-(2-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline

C18H16FN7 — CID 3239492

IUPAC4-[4-(2-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline
SMILESFc1ccccc1N1CCN(c2nc3ccccc3n3nnnc23)CC1
InChIInChI=1S/C18H16FN7/c19-13-5-1-3-7-15(13)24-9-11-25(12-10-24)17-18-21-22-23-26(18)16-8-4-2-6-14(16)20-17/h1-8H,9-12H2
InChIKeyBQRLQBLGPSWSLT-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.14
Rot. Bonds2

About 4-[4-(2-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline

4-[4-(2-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline (PubChem CID 3239492) has the molecular formula C18H16FN7 and a molecular weight of 349.37 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline
PubChem CID3239492
Molecular FormulaC18H16FN7
Molecular Weight349.37 g/mol
Exact Mass349.15
IUPAC Name4-[4-(2-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline
SMILESFc1ccccc1N1CCN(c2nc3ccccc3n3nnnc23)CC1
InChIInChI=1S/C18H16FN7/c19-13-5-1-3-7-15(13)24-9-11-25(12-10-24)17-18-21-22-23-26(18)16-8-4-2-6-14(16)20-17/h1-8H,9-12H2
InChIKeyBQRLQBLGPSWSLT-UHFFFAOYSA-N
XLogP2.14
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline (CID 3239492) is 4-[4-(2-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline is Fc1ccccc1N1CCN(c2nc3ccccc3n3nnnc23)CC1.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline?
The InChIKey is BQRLQBLGPSWSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN7/c19-13-5-1-3-7-15(13)24-9-11-25(12-10-24)17-18-21-22-23-26(18)16-8-4-2-6-14(16)20-17/h1-8H,9-12H2.
What are the key properties of 4-[4-(2-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline?
4-[4-(2-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline has a molecular weight of 349.37 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline is sourced from PubChem (CID 3239492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).