[2-[(E)-2-phenylethenyl]quinolin-8-yl] acetate

C19H15NO2 — CID 6475026

IUPAC[2-[(E)-2-phenylethenyl]quinolin-8-yl] acetate
SMILESCC(=O)Oc1cccc2ccc(/C=C/c3ccccc3)nc12
InChIInChI=1S/C19H15NO2/c1-14(21)22-18-9-5-8-16-11-13-17(20-19(16)18)12-10-15-6-3-2-4-7-15/h2-13H,1H3/b12-10+
InChIKeyOSAOSEQEULTDNB-ZRDIBKRKSA-N
MW289.33 g/mol
LogP4.33
Rot. Bonds3

About [2-[(E)-2-phenylethenyl]quinolin-8-yl] acetate

[2-[(E)-2-phenylethenyl]quinolin-8-yl] acetate (PubChem CID 6475026) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is [2-[(E)-2-phenylethenyl]quinolin-8-yl] acetate.

Molecular Properties

Compound Name[2-[(E)-2-phenylethenyl]quinolin-8-yl] acetate
PubChem CID6475026
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name[2-[(E)-2-phenylethenyl]quinolin-8-yl] acetate
SMILESCC(=O)Oc1cccc2ccc(/C=C/c3ccccc3)nc12
InChIInChI=1S/C19H15NO2/c1-14(21)22-18-9-5-8-16-11-13-17(20-19(16)18)12-10-15-6-3-2-4-7-15/h2-13H,1H3/b12-10+
InChIKeyOSAOSEQEULTDNB-ZRDIBKRKSA-N
XLogP4.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] acetate
CID 3518506
[2-[(E)-2-(3-acetyloxy-4-methoxyphenyl)ethenyl]quinolin-8-yl] acetate
CID 7135843
[2-[(E)-2-(1-methylpyridin-1-ium-3-yl)ethenyl]quinolin-8-yl] acetate iodide
CID 54612106
[2-[(E)-2-anthracen-9-ylethenyl]quinolin-8-yl] acetate
CID 141407531
[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]quinolin-8-yl] acetate
CID 7135840
[2-methoxy-5-[2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenyl] acetate
CID 5055101
[2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] propanoate
CID 2935917
[2-[2-(9H-fluoren-1-yl)ethenyl]quinolin-8-yl] acetate
CID 141155048
[2-[(E)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]quinolin-8-yl] acetate
CID 5350243
methyl 4-[2-(8-propanoyloxyquinolin-2-yl)ethenyl]benzoate
CID 2949396
8-chloro-2-[(E)-2-phenylethenyl]quinoline
CID 53474916
2-[(E)-2-(3-chlorophenyl)ethenyl]-8-methoxyquinoline
CID 7210372

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-2-phenylethenyl]quinolin-8-yl] acetate?
The IUPAC name of [2-[(E)-2-phenylethenyl]quinolin-8-yl] acetate (CID 6475026) is [2-[(E)-2-phenylethenyl]quinolin-8-yl] acetate.
What is the SMILES notation for [2-[(E)-2-phenylethenyl]quinolin-8-yl] acetate?
The canonical SMILES for [2-[(E)-2-phenylethenyl]quinolin-8-yl] acetate is CC(=O)Oc1cccc2ccc(/C=C/c3ccccc3)nc12.
What is the InChIKey of [2-[(E)-2-phenylethenyl]quinolin-8-yl] acetate?
The InChIKey is OSAOSEQEULTDNB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H15NO2/c1-14(21)22-18-9-5-8-16-11-13-17(20-19(16)18)12-10-15-6-3-2-4-7-15/h2-13H,1H3/b12-10+.
What are the key properties of [2-[(E)-2-phenylethenyl]quinolin-8-yl] acetate?
[2-[(E)-2-phenylethenyl]quinolin-8-yl] acetate has a molecular weight of 289.33 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-2-phenylethenyl]quinolin-8-yl] acetate is sourced from PubChem (CID 6475026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).