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

C17H12ClN — CID 5351666

IUPAC4-[(E)-2-(2-chlorophenyl)ethenyl]quinoline
SMILESClc1ccccc1/C=C/c1ccnc2ccccc12
InChIInChI=1S/C17H12ClN/c18-16-7-3-1-5-14(16)10-9-13-11-12-19-17-8-4-2-6-15(13)17/h1-12H/b10-9+
InChIKeyDVQQCTSFLJNTCY-MDZDMXLPSA-N
MW265.74 g/mol
LogP5.06
Rot. Bonds2

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

4-[(E)-2-(2-chlorophenyl)ethenyl]quinoline (PubChem CID 5351666) has the molecular formula C17H12ClN and a molecular weight of 265.74 g/mol. Its IUPAC name is 4-[(E)-2-(2-chlorophenyl)ethenyl]quinoline.

Molecular Properties

Compound Name4-[(E)-2-(2-chlorophenyl)ethenyl]quinoline
PubChem CID5351666
Molecular FormulaC17H12ClN
Molecular Weight265.74 g/mol
Exact Mass265.07
IUPAC Name4-[(E)-2-(2-chlorophenyl)ethenyl]quinoline
SMILESClc1ccccc1/C=C/c1ccnc2ccccc12
InChIInChI=1S/C17H12ClN/c18-16-7-3-1-5-14(16)10-9-13-11-12-19-17-8-4-2-6-15(13)17/h1-12H/b10-9+
InChIKeyDVQQCTSFLJNTCY-MDZDMXLPSA-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 4-[(E)-2-(2-chlorophenyl)ethenyl]quinoline?
The IUPAC name of 4-[(E)-2-(2-chlorophenyl)ethenyl]quinoline (CID 5351666) is 4-[(E)-2-(2-chlorophenyl)ethenyl]quinoline.
What is the SMILES notation for 4-[(E)-2-(2-chlorophenyl)ethenyl]quinoline?
The canonical SMILES for 4-[(E)-2-(2-chlorophenyl)ethenyl]quinoline is Clc1ccccc1/C=C/c1ccnc2ccccc12.
What is the InChIKey of 4-[(E)-2-(2-chlorophenyl)ethenyl]quinoline?
The InChIKey is DVQQCTSFLJNTCY-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H12ClN/c18-16-7-3-1-5-14(16)10-9-13-11-12-19-17-8-4-2-6-15(13)17/h1-12H/b10-9+.
What are the key properties of 4-[(E)-2-(2-chlorophenyl)ethenyl]quinoline?
4-[(E)-2-(2-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 4-[(E)-2-(2-chlorophenyl)ethenyl]quinoline is sourced from PubChem (CID 5351666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).