6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylic acid

C28H19FN2O3 — CID 122196334

IUPAC6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C28H19FN2O3/c29-21-10-5-20(6-11-21)27-24(15-16-26(31-27)28(32)33)18-8-13-23(14-9-18)34-17-22-12-7-19-3-1-2-4-25(19)30-22/h1-16H,17H2,(H,32,33)
InChIKeyFWQFFTPATASVOP-UHFFFAOYSA-N
MW450.47 g/mol
LogP6.38
Rot. Bonds6

About 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylic acid

6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylic acid (PubChem CID 122196334) has the molecular formula C28H19FN2O3 and a molecular weight of 450.47 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylic acid
PubChem CID122196334
Molecular FormulaC28H19FN2O3
Molecular Weight450.47 g/mol
Exact Mass450.14
IUPAC Name6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C28H19FN2O3/c29-21-10-5-20(6-11-21)27-24(15-16-26(31-27)28(32)33)18-8-13-23(14-9-18)34-17-22-12-7-19-3-1-2-4-25(19)30-22/h1-16H,17H2,(H,32,33)
InChIKeyFWQFFTPATASVOP-UHFFFAOYSA-N
XLogP6.38
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.47
LogP ≤ 56.38
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]pyridine-2-carboxylic acid?
The IUPAC name of 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylic acid (CID 122196334) is 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylic acid?
The InChIKey is FWQFFTPATASVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19FN2O3/c29-21-10-5-20(6-11-21)27-24(15-16-26(31-27)28(32)33)18-8-13-23(14-9-18)34-17-22-12-7-19-3-1-2-4-25(19)30-22/h1-16H,17H2,(H,32,33).
What are the key properties of 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylic acid?
6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carboxylic acid has a molecular weight of 450.47 g/mol, XLogP of 6.38, 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]pyridine-2-carboxylic acid is sourced from PubChem (CID 122196334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).