5-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline

C22H24FN3 — CID 91453986

IUPAC5-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline
SMILESCc1ccc2c(N3CCN(CCc4ccccc4F)CC3)cccc2n1
InChIInChI=1S/C22H24FN3/c1-17-9-10-19-21(24-17)7-4-8-22(19)26-15-13-25(14-16-26)12-11-18-5-2-3-6-20(18)23/h2-10H,11-16H2,1H3
InChIKeyKFYMPZZQGHJPMJ-UHFFFAOYSA-N
MW349.45 g/mol
LogP4.05
Rot. Bonds4

About 5-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline

5-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline (PubChem CID 91453986) has the molecular formula C22H24FN3 and a molecular weight of 349.45 g/mol. Its IUPAC name is 5-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline.

Molecular Properties

Compound Name5-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline
PubChem CID91453986
Molecular FormulaC22H24FN3
Molecular Weight349.45 g/mol
Exact Mass349.20
IUPAC Name5-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline
SMILESCc1ccc2c(N3CCN(CCc4ccccc4F)CC3)cccc2n1
InChIInChI=1S/C22H24FN3/c1-17-9-10-19-21(24-17)7-4-8-22(19)26-15-13-25(14-16-26)12-11-18-5-2-3-6-20(18)23/h2-10H,11-16H2,1H3
InChIKeyKFYMPZZQGHJPMJ-UHFFFAOYSA-N
XLogP4.05
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline?
The IUPAC name of 5-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline (CID 91453986) is 5-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline.
What is the SMILES notation for 5-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline?
The canonical SMILES for 5-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline is Cc1ccc2c(N3CCN(CCc4ccccc4F)CC3)cccc2n1.
What is the InChIKey of 5-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline?
The InChIKey is KFYMPZZQGHJPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3/c1-17-9-10-19-21(24-17)7-4-8-22(19)26-15-13-25(14-16-26)12-11-18-5-2-3-6-20(18)23/h2-10H,11-16H2,1H3.
What are the key properties of 5-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline?
5-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline has a molecular weight of 349.45 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline is sourced from PubChem (CID 91453986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).