8-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]cinnoline

C18H16ClFN4 — CID 20922964

IUPAC8-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]cinnoline
SMILESFc1ccccc1N1CCN(c2cnnc3c(Cl)cccc23)CC1
InChIInChI=1S/C18H16ClFN4/c19-14-5-3-4-13-17(12-21-22-18(13)14)24-10-8-23(9-11-24)16-7-2-1-6-15(16)20/h1-7,12H,8-11H2
InChIKeyLDXOBYUFPMADPP-UHFFFAOYSA-N
MW342.81 g/mol
LogP3.75
Rot. Bonds2

About 8-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]cinnoline

8-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]cinnoline (PubChem CID 20922964) has the molecular formula C18H16ClFN4 and a molecular weight of 342.81 g/mol. Its IUPAC name is 8-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]cinnoline.

Molecular Properties

Compound Name8-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]cinnoline
PubChem CID20922964
Molecular FormulaC18H16ClFN4
Molecular Weight342.81 g/mol
Exact Mass342.10
IUPAC Name8-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]cinnoline
SMILESFc1ccccc1N1CCN(c2cnnc3c(Cl)cccc23)CC1
InChIInChI=1S/C18H16ClFN4/c19-14-5-3-4-13-17(12-21-22-18(13)14)24-10-8-23(9-11-24)16-7-2-1-6-15(16)20/h1-7,12H,8-11H2
InChIKeyLDXOBYUFPMADPP-UHFFFAOYSA-N
XLogP3.75
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]cinnoline?
The IUPAC name of 8-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]cinnoline (CID 20922964) is 8-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]cinnoline.
What is the SMILES notation for 8-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]cinnoline?
The canonical SMILES for 8-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]cinnoline is Fc1ccccc1N1CCN(c2cnnc3c(Cl)cccc23)CC1.
What is the InChIKey of 8-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]cinnoline?
The InChIKey is LDXOBYUFPMADPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4/c19-14-5-3-4-13-17(12-21-22-18(13)14)24-10-8-23(9-11-24)16-7-2-1-6-15(16)20/h1-7,12H,8-11H2.
What are the key properties of 8-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]cinnoline?
8-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]cinnoline has a molecular weight of 342.81 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]cinnoline is sourced from PubChem (CID 20922964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).