6-fluoro-2-(4-pyridin-3-yloxyphenyl)quinoline-4-carboxylic acid

C21H13FN2O3 — CID 71816591

IUPAC6-fluoro-2-(4-pyridin-3-yloxyphenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Oc3cccnc3)cc2)nc2ccc(F)cc12
InChIInChI=1S/C21H13FN2O3/c22-14-5-8-19-17(10-14)18(21(25)26)11-20(24-19)13-3-6-15(7-4-13)27-16-2-1-9-23-12-16/h1-12H,(H,25,26)
InChIKeyCWENYNCMJFDKKG-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.93
Rot. Bonds4

About 6-fluoro-2-(4-pyridin-3-yloxyphenyl)quinoline-4-carboxylic acid

6-fluoro-2-(4-pyridin-3-yloxyphenyl)quinoline-4-carboxylic acid (PubChem CID 71816591) has the molecular formula C21H13FN2O3 and a molecular weight of 360.34 g/mol. Its IUPAC name is 6-fluoro-2-(4-pyridin-3-yloxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-(4-pyridin-3-yloxyphenyl)quinoline-4-carboxylic acid
PubChem CID71816591
Molecular FormulaC21H13FN2O3
Molecular Weight360.34 g/mol
Exact Mass360.09
IUPAC Name6-fluoro-2-(4-pyridin-3-yloxyphenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Oc3cccnc3)cc2)nc2ccc(F)cc12
InChIInChI=1S/C21H13FN2O3/c22-14-5-8-19-17(10-14)18(21(25)26)11-20(24-19)13-3-6-15(7-4-13)27-16-2-1-9-23-12-16/h1-12H,(H,25,26)
InChIKeyCWENYNCMJFDKKG-UHFFFAOYSA-N
XLogP4.93
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-pyridin-3-yloxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-fluoro-2-(4-pyridin-3-yloxyphenyl)quinoline-4-carboxylic acid (CID 71816591) is 6-fluoro-2-(4-pyridin-3-yloxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-(4-pyridin-3-yloxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-fluoro-2-(4-pyridin-3-yloxyphenyl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(Oc3cccnc3)cc2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-(4-pyridin-3-yloxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is CWENYNCMJFDKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN2O3/c22-14-5-8-19-17(10-14)18(21(25)26)11-20(24-19)13-3-6-15(7-4-13)27-16-2-1-9-23-12-16/h1-12H,(H,25,26).
What are the key properties of 6-fluoro-2-(4-pyridin-3-yloxyphenyl)quinoline-4-carboxylic acid?
6-fluoro-2-(4-pyridin-3-yloxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 360.34 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-pyridin-3-yloxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 71816591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).