2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline

C17H12ClN — CID 5377682

IUPAC2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline
SMILESClc1ccc(/C=C/c2ccc3ccccc3n2)cc1
InChIInChI=1S/C17H12ClN/c18-15-9-5-13(6-10-15)7-11-16-12-8-14-3-1-2-4-17(14)19-16/h1-12H/b11-7+
InChIKeyPWZHLFSCFYMSMR-YRNVUSSQSA-N
MW265.74 g/mol
LogP5.06
Rot. Bonds2

About 2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline

2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline (PubChem CID 5377682) has the molecular formula C17H12ClN and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline.

Molecular Properties

Compound Name2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline
PubChem CID5377682
Molecular FormulaC17H12ClN
Molecular Weight265.74 g/mol
Exact Mass265.07
IUPAC Name2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline
SMILESClc1ccc(/C=C/c2ccc3ccccc3n2)cc1
InChIInChI=1S/C17H12ClN/c18-15-9-5-13(6-10-15)7-11-16-12-8-14-3-1-2-4-17(14)19-16/h1-12H/b11-7+
InChIKeyPWZHLFSCFYMSMR-YRNVUSSQSA-N
XLogP5.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.74
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline?
The IUPAC name of 2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline (CID 5377682) is 2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline.
What is the SMILES notation for 2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline?
The canonical SMILES for 2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline is Clc1ccc(/C=C/c2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline?
The InChIKey is PWZHLFSCFYMSMR-YRNVUSSQSA-N. The full InChI is InChI=1S/C17H12ClN/c18-15-9-5-13(6-10-15)7-11-16-12-8-14-3-1-2-4-17(14)19-16/h1-12H/b11-7+.
What are the key properties of 2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline?
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline has a molecular weight of 265.74 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline is sourced from PubChem (CID 5377682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).