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

C18H16FN7 — CID 20889100

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline
SMILESFc1ccc(N2CCN(c3nc4ccccc4n4nnnc34)CC2)cc1
InChIInChI=1S/C18H16FN7/c19-13-5-7-14(8-6-13)24-9-11-25(12-10-24)17-18-21-22-23-26(18)16-4-2-1-3-15(16)20-17/h1-8H,9-12H2
InChIKeyDWYJMOFPMGHZCP-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.14
Rot. Bonds2

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

4-[4-(4-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline (PubChem CID 20889100) has the molecular formula C18H16FN7 and a molecular weight of 349.37 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline
PubChem CID20889100
Molecular FormulaC18H16FN7
Molecular Weight349.37 g/mol
Exact Mass349.15
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline
SMILESFc1ccc(N2CCN(c3nc4ccccc4n4nnnc34)CC2)cc1
InChIInChI=1S/C18H16FN7/c19-13-5-7-14(8-6-13)24-9-11-25(12-10-24)17-18-21-22-23-26(18)16-4-2-1-3-15(16)20-17/h1-8H,9-12H2
InChIKeyDWYJMOFPMGHZCP-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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Related Compounds

4-(tetrazolo[1,5-a]quinoxalin-4-yl)morpholine
CID 5309141
4-(4-benzylpiperidin-1-yl)tetrazolo[1,5-a]quinoxaline
CID 3241422
1-(4-fluorophenyl)-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 838791
1-ethyl-4-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 20921368
4-piperidin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline
CID 58055693
8-chloro-7-fluoro-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline
CID 58475567
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline
CID 141288937
4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline-2-carboxylic acid
CID 50852162
7-chloro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline
CID 58475763
1-(difluoromethyl)-2-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzimidazole
CID 17428540
4-[3-(4-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine
CID 20874455
4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]tetrazolo[1,5-a]quinoxaline
CID 172994580

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline (CID 20889100) is 4-[4-(4-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline is Fc1ccc(N2CCN(c3nc4ccccc4n4nnnc34)CC2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline?
The InChIKey is DWYJMOFPMGHZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN7/c19-13-5-7-14(8-6-13)24-9-11-25(12-10-24)17-18-21-22-23-26(18)16-4-2-1-3-15(16)20-17/h1-8H,9-12H2.
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline?
4-[4-(4-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-(4-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline is sourced from PubChem (CID 20889100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).