[6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]methanol

C28H21FN2O2 — CID 122196335

IUPAC[6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]methanol
SMILESOCc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C28H21FN2O2/c29-22-10-5-21(6-11-22)28-26(16-13-23(17-32)31-28)19-8-14-25(15-9-19)33-18-24-12-7-20-3-1-2-4-27(20)30-24/h1-16,32H,17-18H2
InChIKeyFSJCKJJJXKHJPM-UHFFFAOYSA-N
MW436.49 g/mol
LogP6.17
Rot. Bonds6

About [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]methanol

[6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]methanol (PubChem CID 122196335) has the molecular formula C28H21FN2O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]methanol
PubChem CID122196335
Molecular FormulaC28H21FN2O2
Molecular Weight436.49 g/mol
Exact Mass436.16
IUPAC Name[6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]methanol
SMILESOCc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C28H21FN2O2/c29-22-10-5-21(6-11-22)28-26(16-13-23(17-32)31-28)19-8-14-25(15-9-19)33-18-24-12-7-20-3-1-2-4-27(20)30-24/h1-16,32H,17-18H2
InChIKeyFSJCKJJJXKHJPM-UHFFFAOYSA-N
XLogP6.17
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]methanol?
The IUPAC name of [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]methanol (CID 122196335) is [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]methanol?
The canonical SMILES for [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]methanol is OCc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]methanol?
The InChIKey is FSJCKJJJXKHJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN2O2/c29-22-10-5-21(6-11-22)28-26(16-13-23(17-32)31-28)19-8-14-25(15-9-19)33-18-24-12-7-20-3-1-2-4-27(20)30-24/h1-16,32H,17-18H2.
What are the key properties of [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]methanol?
[6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]methanol has a molecular weight of 436.49 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]methanol is sourced from PubChem (CID 122196335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).