2-(3-fluoro-4-hydroxyphenyl)-4-(1,3-thiazol-2-yl)quinolin-6-ol

C18H11FN2O2S — CID 135489129

IUPAC2-(3-fluoro-4-hydroxyphenyl)-4-(1,3-thiazol-2-yl)quinolin-6-ol
SMILESOc1ccc2nc(-c3ccc(O)c(F)c3)cc(-c3nccs3)c2c1
InChIInChI=1S/C18H11FN2O2S/c19-14-7-10(1-4-17(14)23)16-9-13(18-20-5-6-24-18)12-8-11(22)2-3-15(12)21-16/h1-9,22-23H
InChIKeyYHEOJVOMTFYLBV-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.58
Rot. Bonds2

About 2-(3-fluoro-4-hydroxyphenyl)-4-(1,3-thiazol-2-yl)quinolin-6-ol

2-(3-fluoro-4-hydroxyphenyl)-4-(1,3-thiazol-2-yl)quinolin-6-ol (PubChem CID 135489129) has the molecular formula C18H11FN2O2S and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-(3-fluoro-4-hydroxyphenyl)-4-(1,3-thiazol-2-yl)quinolin-6-ol.

Molecular Properties

Compound Name2-(3-fluoro-4-hydroxyphenyl)-4-(1,3-thiazol-2-yl)quinolin-6-ol
PubChem CID135489129
Molecular FormulaC18H11FN2O2S
Molecular Weight338.36 g/mol
Exact Mass338.05
IUPAC Name2-(3-fluoro-4-hydroxyphenyl)-4-(1,3-thiazol-2-yl)quinolin-6-ol
SMILESOc1ccc2nc(-c3ccc(O)c(F)c3)cc(-c3nccs3)c2c1
InChIInChI=1S/C18H11FN2O2S/c19-14-7-10(1-4-17(14)23)16-9-13(18-20-5-6-24-18)12-8-11(22)2-3-15(12)21-16/h1-9,22-23H
InChIKeyYHEOJVOMTFYLBV-UHFFFAOYSA-N
XLogP4.58
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-4-(1,3-thiazol-2-yl)quinolin-6-ol?
The IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-4-(1,3-thiazol-2-yl)quinolin-6-ol (CID 135489129) is 2-(3-fluoro-4-hydroxyphenyl)-4-(1,3-thiazol-2-yl)quinolin-6-ol.
What is the SMILES notation for 2-(3-fluoro-4-hydroxyphenyl)-4-(1,3-thiazol-2-yl)quinolin-6-ol?
The canonical SMILES for 2-(3-fluoro-4-hydroxyphenyl)-4-(1,3-thiazol-2-yl)quinolin-6-ol is Oc1ccc2nc(-c3ccc(O)c(F)c3)cc(-c3nccs3)c2c1.
What is the InChIKey of 2-(3-fluoro-4-hydroxyphenyl)-4-(1,3-thiazol-2-yl)quinolin-6-ol?
The InChIKey is YHEOJVOMTFYLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O2S/c19-14-7-10(1-4-17(14)23)16-9-13(18-20-5-6-24-18)12-8-11(22)2-3-15(12)21-16/h1-9,22-23H.
What are the key properties of 2-(3-fluoro-4-hydroxyphenyl)-4-(1,3-thiazol-2-yl)quinolin-6-ol?
2-(3-fluoro-4-hydroxyphenyl)-4-(1,3-thiazol-2-yl)quinolin-6-ol has a molecular weight of 338.36 g/mol, XLogP of 4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-hydroxyphenyl)-4-(1,3-thiazol-2-yl)quinolin-6-ol is sourced from PubChem (CID 135489129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).