2-[[4-[5-fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline

C27H18F2N2O — CID 122196339

IUPAC2-[[4-[5-fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline
SMILESFc1ccc(-c2ncc(F)cc2-c2ccc(OCc3ccc4ccccc4n3)cc2)cc1
InChIInChI=1S/C27H18F2N2O/c28-21-10-5-20(6-11-21)27-25(15-22(29)16-30-27)18-8-13-24(14-9-18)32-17-23-12-7-19-3-1-2-4-26(19)31-23/h1-16H,17H2
InChIKeyQPDLLHGHIISJJC-UHFFFAOYSA-N
MW424.45 g/mol
LogP6.82
Rot. Bonds5

About 2-[[4-[5-fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline

2-[[4-[5-fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline (PubChem CID 122196339) has the molecular formula C27H18F2N2O and a molecular weight of 424.45 g/mol. Its IUPAC name is 2-[[4-[5-fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-[5-fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline
PubChem CID122196339
Molecular FormulaC27H18F2N2O
Molecular Weight424.45 g/mol
Exact Mass424.14
IUPAC Name2-[[4-[5-fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline
SMILESFc1ccc(-c2ncc(F)cc2-c2ccc(OCc3ccc4ccccc4n3)cc2)cc1
InChIInChI=1S/C27H18F2N2O/c28-21-10-5-20(6-11-21)27-25(15-22(29)16-30-27)18-8-13-24(14-9-18)32-17-23-12-7-19-3-1-2-4-26(19)31-23/h1-16H,17H2
InChIKeyQPDLLHGHIISJJC-UHFFFAOYSA-N
XLogP6.82
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.45
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-[5-fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline (CID 122196339) is 2-[[4-[5-fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-[5-fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-[5-fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline is Fc1ccc(-c2ncc(F)cc2-c2ccc(OCc3ccc4ccccc4n3)cc2)cc1.
What is the InChIKey of 2-[[4-[5-fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline?
The InChIKey is QPDLLHGHIISJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F2N2O/c28-21-10-5-20(6-11-21)27-25(15-22(29)16-30-27)18-8-13-24(14-9-18)32-17-23-12-7-19-3-1-2-4-26(19)31-23/h1-16H,17H2.
What are the key properties of 2-[[4-[5-fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline?
2-[[4-[5-fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline has a molecular weight of 424.45 g/mol, XLogP of 6.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 122196339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).