3-[(E)-2-(6,7-difluoroquinolin-2-yl)ethenyl]benzaldehyde

C18H11F2NO — CID 19918772

IUPAC3-[(E)-2-(6,7-difluoroquinolin-2-yl)ethenyl]benzaldehyde
SMILESO=Cc1cccc(/C=C/c2ccc3cc(F)c(F)cc3n2)c1
InChIInChI=1S/C18H11F2NO/c19-16-9-14-5-7-15(21-18(14)10-17(16)20)6-4-12-2-1-3-13(8-12)11-22/h1-11H/b6-4+
InChIKeySCCWWJWUZUKKRY-GQCTYLIASA-N
MW295.29 g/mol
LogP4.50
Rot. Bonds3

About 3-[(E)-2-(6,7-difluoroquinolin-2-yl)ethenyl]benzaldehyde

3-[(E)-2-(6,7-difluoroquinolin-2-yl)ethenyl]benzaldehyde (PubChem CID 19918772) has the molecular formula C18H11F2NO and a molecular weight of 295.29 g/mol. Its IUPAC name is 3-[(E)-2-(6,7-difluoroquinolin-2-yl)ethenyl]benzaldehyde.

Molecular Properties

Compound Name3-[(E)-2-(6,7-difluoroquinolin-2-yl)ethenyl]benzaldehyde
PubChem CID19918772
Molecular FormulaC18H11F2NO
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name3-[(E)-2-(6,7-difluoroquinolin-2-yl)ethenyl]benzaldehyde
SMILESO=Cc1cccc(/C=C/c2ccc3cc(F)c(F)cc3n2)c1
InChIInChI=1S/C18H11F2NO/c19-16-9-14-5-7-15(21-18(14)10-17(16)20)6-4-12-2-1-3-13(8-12)11-22/h1-11H/b6-4+
InChIKeySCCWWJWUZUKKRY-GQCTYLIASA-N
XLogP4.50
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 54.50
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-(6,7-difluoroquinolin-2-yl)ethenyl]benzaldehyde?
The IUPAC name of 3-[(E)-2-(6,7-difluoroquinolin-2-yl)ethenyl]benzaldehyde (CID 19918772) is 3-[(E)-2-(6,7-difluoroquinolin-2-yl)ethenyl]benzaldehyde.
What is the SMILES notation for 3-[(E)-2-(6,7-difluoroquinolin-2-yl)ethenyl]benzaldehyde?
The canonical SMILES for 3-[(E)-2-(6,7-difluoroquinolin-2-yl)ethenyl]benzaldehyde is O=Cc1cccc(/C=C/c2ccc3cc(F)c(F)cc3n2)c1.
What is the InChIKey of 3-[(E)-2-(6,7-difluoroquinolin-2-yl)ethenyl]benzaldehyde?
The InChIKey is SCCWWJWUZUKKRY-GQCTYLIASA-N. The full InChI is InChI=1S/C18H11F2NO/c19-16-9-14-5-7-15(21-18(14)10-17(16)20)6-4-12-2-1-3-13(8-12)11-22/h1-11H/b6-4+.
What are the key properties of 3-[(E)-2-(6,7-difluoroquinolin-2-yl)ethenyl]benzaldehyde?
3-[(E)-2-(6,7-difluoroquinolin-2-yl)ethenyl]benzaldehyde has a molecular weight of 295.29 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(6,7-difluoroquinolin-2-yl)ethenyl]benzaldehyde is sourced from PubChem (CID 19918772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).