6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridin-3-ol

C27H19FN2O2 — CID 122196338

IUPAC6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridin-3-ol
SMILESOc1cnc(-c2ccc(F)cc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)c1
InChIInChI=1S/C27H19FN2O2/c28-21-10-5-20(6-11-21)27-25(15-23(31)16-29-27)18-8-13-24(14-9-18)32-17-22-12-7-19-3-1-2-4-26(19)30-22/h1-16,31H,17H2
InChIKeyLVENDBNBXWLMQL-UHFFFAOYSA-N
MW422.46 g/mol
LogP6.39
Rot. Bonds5

About 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridin-3-ol

6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridin-3-ol (PubChem CID 122196338) has the molecular formula C27H19FN2O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridin-3-ol.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridin-3-ol
PubChem CID122196338
Molecular FormulaC27H19FN2O2
Molecular Weight422.46 g/mol
Exact Mass422.14
IUPAC Name6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridin-3-ol
SMILESOc1cnc(-c2ccc(F)cc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)c1
InChIInChI=1S/C27H19FN2O2/c28-21-10-5-20(6-11-21)27-25(15-23(31)16-29-27)18-8-13-24(14-9-18)32-17-22-12-7-19-3-1-2-4-26(19)30-22/h1-16,31H,17H2
InChIKeyLVENDBNBXWLMQL-UHFFFAOYSA-N
XLogP6.39
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.46
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridin-3-ol?
The IUPAC name of 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridin-3-ol (CID 122196338) is 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridin-3-ol.
What is the SMILES notation for 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridin-3-ol?
The canonical SMILES for 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridin-3-ol is Oc1cnc(-c2ccc(F)cc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)c1.
What is the InChIKey of 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridin-3-ol?
The InChIKey is LVENDBNBXWLMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN2O2/c28-21-10-5-20(6-11-21)27-25(15-23(31)16-29-27)18-8-13-24(14-9-18)32-17-22-12-7-19-3-1-2-4-26(19)30-22/h1-16,31H,17H2.
What are the key properties of 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridin-3-ol?
6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridin-3-ol has a molecular weight of 422.46 g/mol, XLogP of 6.39, 5 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]pyridin-3-ol is sourced from PubChem (CID 122196338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).