2-(3-fluoro-4-hydroxyphenyl)-4-pyridin-4-ylquinolin-6-ol

C20H13FN2O2 — CID 135524885

IUPAC2-(3-fluoro-4-hydroxyphenyl)-4-pyridin-4-ylquinolin-6-ol
SMILESOc1ccc2nc(-c3ccc(O)c(F)c3)cc(-c3ccncc3)c2c1
InChIInChI=1S/C20H13FN2O2/c21-17-9-13(1-4-20(17)25)19-11-15(12-5-7-22-8-6-12)16-10-14(24)2-3-18(16)23-19/h1-11,24-25H
InChIKeyHIZDBNPVZXJXGH-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.51
Rot. Bonds2

About 2-(3-fluoro-4-hydroxyphenyl)-4-pyridin-4-ylquinolin-6-ol

2-(3-fluoro-4-hydroxyphenyl)-4-pyridin-4-ylquinolin-6-ol (PubChem CID 135524885) has the molecular formula C20H13FN2O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 2-(3-fluoro-4-hydroxyphenyl)-4-pyridin-4-ylquinolin-6-ol.

Molecular Properties

Compound Name2-(3-fluoro-4-hydroxyphenyl)-4-pyridin-4-ylquinolin-6-ol
PubChem CID135524885
Molecular FormulaC20H13FN2O2
Molecular Weight332.33 g/mol
Exact Mass332.10
IUPAC Name2-(3-fluoro-4-hydroxyphenyl)-4-pyridin-4-ylquinolin-6-ol
SMILESOc1ccc2nc(-c3ccc(O)c(F)c3)cc(-c3ccncc3)c2c1
InChIInChI=1S/C20H13FN2O2/c21-17-9-13(1-4-20(17)25)19-11-15(12-5-7-22-8-6-12)16-10-14(24)2-3-18(16)23-19/h1-11,24-25H
InChIKeyHIZDBNPVZXJXGH-UHFFFAOYSA-N
XLogP4.51
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-4-pyridin-4-ylquinolin-6-ol?
The IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-4-pyridin-4-ylquinolin-6-ol (CID 135524885) is 2-(3-fluoro-4-hydroxyphenyl)-4-pyridin-4-ylquinolin-6-ol.
What is the SMILES notation for 2-(3-fluoro-4-hydroxyphenyl)-4-pyridin-4-ylquinolin-6-ol?
The canonical SMILES for 2-(3-fluoro-4-hydroxyphenyl)-4-pyridin-4-ylquinolin-6-ol is Oc1ccc2nc(-c3ccc(O)c(F)c3)cc(-c3ccncc3)c2c1.
What is the InChIKey of 2-(3-fluoro-4-hydroxyphenyl)-4-pyridin-4-ylquinolin-6-ol?
The InChIKey is HIZDBNPVZXJXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O2/c21-17-9-13(1-4-20(17)25)19-11-15(12-5-7-22-8-6-12)16-10-14(24)2-3-18(16)23-19/h1-11,24-25H.
What are the key properties of 2-(3-fluoro-4-hydroxyphenyl)-4-pyridin-4-ylquinolin-6-ol?
2-(3-fluoro-4-hydroxyphenyl)-4-pyridin-4-ylquinolin-6-ol has a molecular weight of 332.33 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-hydroxyphenyl)-4-pyridin-4-ylquinolin-6-ol is sourced from PubChem (CID 135524885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).