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

C20H16FNO2 — CID 2935917

IUPAC[2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] propanoate
SMILESCCC(=O)Oc1cccc2ccc(C=Cc3cccc(F)c3)nc12
InChIInChI=1S/C20H16FNO2/c1-2-19(23)24-18-8-4-6-15-10-12-17(22-20(15)18)11-9-14-5-3-7-16(21)13-14/h3-13H,2H2,1H3
InChIKeyFFDXBTYOSFYQED-UHFFFAOYSA-N
MW321.35 g/mol
LogP4.86
Rot. Bonds4

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

[2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] propanoate (PubChem CID 2935917) has the molecular formula C20H16FNO2 and a molecular weight of 321.35 g/mol. Its IUPAC name is [2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] propanoate.

Molecular Properties

Compound Name[2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] propanoate
PubChem CID2935917
Molecular FormulaC20H16FNO2
Molecular Weight321.35 g/mol
Exact Mass321.12
IUPAC Name[2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] propanoate
SMILESCCC(=O)Oc1cccc2ccc(C=Cc3cccc(F)c3)nc12
InChIInChI=1S/C20H16FNO2/c1-2-19(23)24-18-8-4-6-15-10-12-17(22-20(15)18)11-9-14-5-3-7-16(21)13-14/h3-13H,2H2,1H3
InChIKeyFFDXBTYOSFYQED-UHFFFAOYSA-N
XLogP4.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 54.86
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] propanoate?
The IUPAC name of [2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] propanoate (CID 2935917) is [2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] propanoate.
What is the SMILES notation for [2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] propanoate?
The canonical SMILES for [2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] propanoate is CCC(=O)Oc1cccc2ccc(C=Cc3cccc(F)c3)nc12.
What is the InChIKey of [2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] propanoate?
The InChIKey is FFDXBTYOSFYQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO2/c1-2-19(23)24-18-8-4-6-15-10-12-17(22-20(15)18)11-9-14-5-3-7-16(21)13-14/h3-13H,2H2,1H3.
What are the key properties of [2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] propanoate?
[2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] propanoate has a molecular weight of 321.35 g/mol, XLogP of 4.86, 4 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] propanoate is sourced from PubChem (CID 2935917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).