3-[(E)-2-(6-fluoroquinolin-2-yl)ethenyl]benzaldehyde

C18H12FNO — CID 86747933

IUPAC3-[(E)-2-(6-fluoroquinolin-2-yl)ethenyl]benzaldehyde
SMILESO=Cc1cccc(/C=C/c2ccc3cc(F)ccc3n2)c1
InChIInChI=1S/C18H12FNO/c19-16-6-9-18-15(11-16)5-8-17(20-18)7-4-13-2-1-3-14(10-13)12-21/h1-12H/b7-4+
InChIKeyCUUXBZDWEQFZAG-QPJJXVBHSA-N
MW277.30 g/mol
LogP4.36
Rot. Bonds3

About 3-[(E)-2-(6-fluoroquinolin-2-yl)ethenyl]benzaldehyde

3-[(E)-2-(6-fluoroquinolin-2-yl)ethenyl]benzaldehyde (PubChem CID 86747933) has the molecular formula C18H12FNO and a molecular weight of 277.30 g/mol. Its IUPAC name is 3-[(E)-2-(6-fluoroquinolin-2-yl)ethenyl]benzaldehyde.

Molecular Properties

Compound Name3-[(E)-2-(6-fluoroquinolin-2-yl)ethenyl]benzaldehyde
PubChem CID86747933
Molecular FormulaC18H12FNO
Molecular Weight277.30 g/mol
Exact Mass277.09
IUPAC Name3-[(E)-2-(6-fluoroquinolin-2-yl)ethenyl]benzaldehyde
SMILESO=Cc1cccc(/C=C/c2ccc3cc(F)ccc3n2)c1
InChIInChI=1S/C18H12FNO/c19-16-6-9-18-15(11-16)5-8-17(20-18)7-4-13-2-1-3-14(10-13)12-21/h1-12H/b7-4+
InChIKeyCUUXBZDWEQFZAG-QPJJXVBHSA-N
XLogP4.36
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(6-fluoroquinolin-2-yl)ethenyl]benzaldehyde?
The IUPAC name of 3-[(E)-2-(6-fluoroquinolin-2-yl)ethenyl]benzaldehyde (CID 86747933) is 3-[(E)-2-(6-fluoroquinolin-2-yl)ethenyl]benzaldehyde.
What is the SMILES notation for 3-[(E)-2-(6-fluoroquinolin-2-yl)ethenyl]benzaldehyde?
The canonical SMILES for 3-[(E)-2-(6-fluoroquinolin-2-yl)ethenyl]benzaldehyde is O=Cc1cccc(/C=C/c2ccc3cc(F)ccc3n2)c1.
What is the InChIKey of 3-[(E)-2-(6-fluoroquinolin-2-yl)ethenyl]benzaldehyde?
The InChIKey is CUUXBZDWEQFZAG-QPJJXVBHSA-N. The full InChI is InChI=1S/C18H12FNO/c19-16-6-9-18-15(11-16)5-8-17(20-18)7-4-13-2-1-3-14(10-13)12-21/h1-12H/b7-4+.
What are the key properties of 3-[(E)-2-(6-fluoroquinolin-2-yl)ethenyl]benzaldehyde?
3-[(E)-2-(6-fluoroquinolin-2-yl)ethenyl]benzaldehyde has a molecular weight of 277.30 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(6-fluoroquinolin-2-yl)ethenyl]benzaldehyde is sourced from PubChem (CID 86747933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).