[2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] acetate

C19H14FNO2 — CID 3518506

IUPAC[2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] acetate
SMILESCC(=O)Oc1cccc2ccc(C=Cc3cccc(F)c3)nc12
InChIInChI=1S/C19H14FNO2/c1-13(22)23-18-7-3-5-15-9-11-17(21-19(15)18)10-8-14-4-2-6-16(20)12-14/h2-12H,1H3
InChIKeyMXAWIQWGKSSKMZ-UHFFFAOYSA-N
MW307.32 g/mol
LogP4.47
Rot. Bonds3

About [2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] acetate

[2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] acetate (PubChem CID 3518506) has the molecular formula C19H14FNO2 and a molecular weight of 307.32 g/mol. Its IUPAC name is [2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] acetate.

Molecular Properties

Compound Name[2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] acetate
PubChem CID3518506
Molecular FormulaC19H14FNO2
Molecular Weight307.32 g/mol
Exact Mass307.10
IUPAC Name[2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] acetate
SMILESCC(=O)Oc1cccc2ccc(C=Cc3cccc(F)c3)nc12
InChIInChI=1S/C19H14FNO2/c1-13(22)23-18-7-3-5-15-9-11-17(21-19(15)18)10-8-14-4-2-6-16(20)12-14/h2-12H,1H3
InChIKeyMXAWIQWGKSSKMZ-UHFFFAOYSA-N
XLogP4.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] acetate?
The IUPAC name of [2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] acetate (CID 3518506) is [2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] acetate.
What is the SMILES notation for [2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] acetate?
The canonical SMILES for [2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] acetate is CC(=O)Oc1cccc2ccc(C=Cc3cccc(F)c3)nc12.
What is the InChIKey of [2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] acetate?
The InChIKey is MXAWIQWGKSSKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO2/c1-13(22)23-18-7-3-5-15-9-11-17(21-19(15)18)10-8-14-4-2-6-16(20)12-14/h2-12H,1H3.
What are the key properties of [2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] acetate?
[2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] acetate has a molecular weight of 307.32 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] acetate is sourced from PubChem (CID 3518506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).