4-ethenyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol

C17H12FNO2 — CID 135489089

IUPAC4-ethenyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol
SMILESC=Cc1cc(-c2ccc(O)c(F)c2)nc2ccc(O)cc12
InChIInChI=1S/C17H12FNO2/c1-2-10-8-16(11-3-6-17(21)14(18)7-11)19-15-5-4-12(20)9-13(10)15/h2-9,20-21H,1H2
InChIKeyITPVBYCHHVQBJU-UHFFFAOYSA-N
MW281.29 g/mol
LogP4.10
Rot. Bonds2

About 4-ethenyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol

4-ethenyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol (PubChem CID 135489089) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is 4-ethenyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol.

Molecular Properties

Compound Name4-ethenyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol
PubChem CID135489089
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name4-ethenyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol
SMILESC=Cc1cc(-c2ccc(O)c(F)c2)nc2ccc(O)cc12
InChIInChI=1S/C17H12FNO2/c1-2-10-8-16(11-3-6-17(21)14(18)7-11)19-15-5-4-12(20)9-13(10)15/h2-9,20-21H,1H2
InChIKeyITPVBYCHHVQBJU-UHFFFAOYSA-N
XLogP4.10
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol?
The IUPAC name of 4-ethenyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol (CID 135489089) is 4-ethenyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol.
What is the SMILES notation for 4-ethenyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol?
The canonical SMILES for 4-ethenyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol is C=Cc1cc(-c2ccc(O)c(F)c2)nc2ccc(O)cc12.
What is the InChIKey of 4-ethenyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol?
The InChIKey is ITPVBYCHHVQBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c1-2-10-8-16(11-3-6-17(21)14(18)7-11)19-15-5-4-12(20)9-13(10)15/h2-9,20-21H,1H2.
What are the key properties of 4-ethenyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol?
4-ethenyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol has a molecular weight of 281.29 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol is sourced from PubChem (CID 135489089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).