2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol

C24H28FN3O2 — CID 23723400

IUPAC2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1cccc(CN2CCN(Cc3ccc4cccc(F)c4n3)CC2CCO)c1
InChIInChI=1S/C24H28FN3O2/c1-30-22-6-2-4-18(14-22)15-28-12-11-27(17-21(28)10-13-29)16-20-9-8-19-5-3-7-23(25)24(19)26-20/h2-9,14,21,29H,10-13,15-17H2,1H3
InChIKeyJNXXLLSIXMRKPZ-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.45
Rot. Bonds7

About 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol

2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 23723400) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID23723400
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1cccc(CN2CCN(Cc3ccc4cccc(F)c4n3)CC2CCO)c1
InChIInChI=1S/C24H28FN3O2/c1-30-22-6-2-4-18(14-22)15-28-12-11-27(17-21(28)10-13-29)16-20-9-8-19-5-3-7-23(25)24(19)26-20/h2-9,14,21,29H,10-13,15-17H2,1H3
InChIKeyJNXXLLSIXMRKPZ-UHFFFAOYSA-N
XLogP3.45
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol (CID 23723400) is 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol is COc1cccc(CN2CCN(Cc3ccc4cccc(F)c4n3)CC2CCO)c1.
What is the InChIKey of 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is JNXXLLSIXMRKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-30-22-6-2-4-18(14-22)15-28-12-11-27(17-21(28)10-13-29)16-20-9-8-19-5-3-7-23(25)24(19)26-20/h2-9,14,21,29H,10-13,15-17H2,1H3.
What are the key properties of 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol?
2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 409.51 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 23723400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).