6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinoline

C17H11ClFN — CID 56649871

IUPAC6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinoline
SMILESFc1ccc(/C=C/c2ccc3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C17H11ClFN/c18-14-5-10-17-13(11-14)4-9-16(20-17)8-3-12-1-6-15(19)7-2-12/h1-11H/b8-3+
InChIKeyGCSUVSBNZZFBOD-FPYGCLRLSA-N
MW283.73 g/mol
LogP5.20
Rot. Bonds2

About 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinoline

6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinoline (PubChem CID 56649871) has the molecular formula C17H11ClFN and a molecular weight of 283.73 g/mol. Its IUPAC name is 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinoline.

Molecular Properties

Compound Name6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinoline
PubChem CID56649871
Molecular FormulaC17H11ClFN
Molecular Weight283.73 g/mol
Exact Mass283.06
IUPAC Name6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinoline
SMILESFc1ccc(/C=C/c2ccc3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C17H11ClFN/c18-14-5-10-17-13(11-14)4-9-16(20-17)8-3-12-1-6-15(19)7-2-12/h1-11H/b8-3+
InChIKeyGCSUVSBNZZFBOD-FPYGCLRLSA-N
XLogP5.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.73
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinoline?
The IUPAC name of 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinoline (CID 56649871) is 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinoline.
What is the SMILES notation for 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinoline?
The canonical SMILES for 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinoline is Fc1ccc(/C=C/c2ccc3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinoline?
The InChIKey is GCSUVSBNZZFBOD-FPYGCLRLSA-N. The full InChI is InChI=1S/C17H11ClFN/c18-14-5-10-17-13(11-14)4-9-16(20-17)8-3-12-1-6-15(19)7-2-12/h1-11H/b8-3+.
What are the key properties of 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinoline?
6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinoline has a molecular weight of 283.73 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinoline is sourced from PubChem (CID 56649871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).