2-[[4-[2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]phenoxy]methyl]quinoline

C28H21FN2O2 — CID 122196407

IUPAC2-[[4-[2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]phenoxy]methyl]quinoline
SMILESCOc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C28H21FN2O2/c1-32-27-17-16-25(28(31-27)21-6-11-22(29)12-7-21)19-9-14-24(15-10-19)33-18-23-13-8-20-4-2-3-5-26(20)30-23/h2-17H,18H2,1H3
InChIKeyGTDHTOCGWNZONB-UHFFFAOYSA-N
MW436.49 g/mol
LogP6.69
Rot. Bonds6

About 2-[[4-[2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]phenoxy]methyl]quinoline

2-[[4-[2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]phenoxy]methyl]quinoline (PubChem CID 122196407) has the molecular formula C28H21FN2O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-[[4-[2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-[2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]phenoxy]methyl]quinoline
PubChem CID122196407
Molecular FormulaC28H21FN2O2
Molecular Weight436.49 g/mol
Exact Mass436.16
IUPAC Name2-[[4-[2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]phenoxy]methyl]quinoline
SMILESCOc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C28H21FN2O2/c1-32-27-17-16-25(28(31-27)21-6-11-22(29)12-7-21)19-9-14-24(15-10-19)33-18-23-13-8-20-4-2-3-5-26(20)30-23/h2-17H,18H2,1H3
InChIKeyGTDHTOCGWNZONB-UHFFFAOYSA-N
XLogP6.69
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-[2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]phenoxy]methyl]quinoline (CID 122196407) is 2-[[4-[2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-[2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-[2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]phenoxy]methyl]quinoline is COc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[[4-[2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]phenoxy]methyl]quinoline?
The InChIKey is GTDHTOCGWNZONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN2O2/c1-32-27-17-16-25(28(31-27)21-6-11-22(29)12-7-21)19-9-14-24(15-10-19)33-18-23-13-8-20-4-2-3-5-26(20)30-23/h2-17H,18H2,1H3.
What are the key properties of 2-[[4-[2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]phenoxy]methyl]quinoline?
2-[[4-[2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]phenoxy]methyl]quinoline has a molecular weight of 436.49 g/mol, XLogP of 6.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 122196407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).