[2-[2-(9H-fluoren-1-yl)ethenyl]quinolin-8-yl] acetate

C26H19NO2 — CID 141155048

IUPAC[2-[2-(9H-fluoren-1-yl)ethenyl]quinolin-8-yl] acetate
SMILESCC(=O)Oc1cccc2ccc(C=Cc3cccc4c3Cc3ccccc3-4)nc12
InChIInChI=1S/C26H19NO2/c1-17(28)29-25-11-5-8-19-13-15-21(27-26(19)25)14-12-18-7-4-10-23-22-9-3-2-6-20(22)16-24(18)23/h2-15H,16H2,1H3
InChIKeyCAYLNVDRHRNRAQ-UHFFFAOYSA-N
MW377.44 g/mol
LogP5.90
Rot. Bonds3

About [2-[2-(9H-fluoren-1-yl)ethenyl]quinolin-8-yl] acetate

[2-[2-(9H-fluoren-1-yl)ethenyl]quinolin-8-yl] acetate (PubChem CID 141155048) has the molecular formula C26H19NO2 and a molecular weight of 377.44 g/mol. Its IUPAC name is [2-[2-(9H-fluoren-1-yl)ethenyl]quinolin-8-yl] acetate.

Molecular Properties

Compound Name[2-[2-(9H-fluoren-1-yl)ethenyl]quinolin-8-yl] acetate
PubChem CID141155048
Molecular FormulaC26H19NO2
Molecular Weight377.44 g/mol
Exact Mass377.14
IUPAC Name[2-[2-(9H-fluoren-1-yl)ethenyl]quinolin-8-yl] acetate
SMILESCC(=O)Oc1cccc2ccc(C=Cc3cccc4c3Cc3ccccc3-4)nc12
InChIInChI=1S/C26H19NO2/c1-17(28)29-25-11-5-8-19-13-15-21(27-26(19)25)14-12-18-7-4-10-23-22-9-3-2-6-20(22)16-24(18)23/h2-15H,16H2,1H3
InChIKeyCAYLNVDRHRNRAQ-UHFFFAOYSA-N
XLogP5.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.44
LogP ≤ 55.90
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-[(E)-2-phenylethenyl]quinolin-8-yl] acetate
CID 6475026
[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]quinolin-8-yl] acetate
CID 7135840
[2-[(E)-2-anthracen-9-ylethenyl]quinolin-8-yl] acetate
CID 141407531
[2-[(E)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]quinolin-8-yl] acetate
CID 5350243
[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
9H-fluoren-1-yl acetate;propane-1,2-diol
CID 159192832
[2,4-dichloro-6-[2-(8-methoxyquinolin-2-yl)ethenyl]phenyl] acetate
CID 2949472
[4-chloro-2-[(E)-2-[8-[(2-chlorophenyl)methoxy]quinolin-2-yl]ethenyl]phenyl] acetate
CID 6019443
[2-bromo-4-chloro-6-[2-(8-methoxyquinolin-2-yl)ethenyl]phenyl] acetate
CID 2949467
acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene
CID 162313144

Frequently Asked Questions

What is the IUPAC name of [2-[2-(9H-fluoren-1-yl)ethenyl]quinolin-8-yl] acetate?
The IUPAC name of [2-[2-(9H-fluoren-1-yl)ethenyl]quinolin-8-yl] acetate (CID 141155048) is [2-[2-(9H-fluoren-1-yl)ethenyl]quinolin-8-yl] acetate.
What is the SMILES notation for [2-[2-(9H-fluoren-1-yl)ethenyl]quinolin-8-yl] acetate?
The canonical SMILES for [2-[2-(9H-fluoren-1-yl)ethenyl]quinolin-8-yl] acetate is CC(=O)Oc1cccc2ccc(C=Cc3cccc4c3Cc3ccccc3-4)nc12.
What is the InChIKey of [2-[2-(9H-fluoren-1-yl)ethenyl]quinolin-8-yl] acetate?
The InChIKey is CAYLNVDRHRNRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO2/c1-17(28)29-25-11-5-8-19-13-15-21(27-26(19)25)14-12-18-7-4-10-23-22-9-3-2-6-20(22)16-24(18)23/h2-15H,16H2,1H3.
What are the key properties of [2-[2-(9H-fluoren-1-yl)ethenyl]quinolin-8-yl] acetate?
[2-[2-(9H-fluoren-1-yl)ethenyl]quinolin-8-yl] acetate has a molecular weight of 377.44 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(9H-fluoren-1-yl)ethenyl]quinolin-8-yl] acetate is sourced from PubChem (CID 141155048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).