2-[(E)-2-[3-[chloro(phenyl)methyl]phenyl]ethenyl]quinoline;hydrochloride

C24H19Cl2N — CID 19102588

IUPAC2-[(E)-2-[3-[chloro(phenyl)methyl]phenyl]ethenyl]quinoline;hydrochloride
SMILESCl.ClC(c1ccccc1)c1cccc(/C=C/c2ccc3ccccc3n2)c1
InChIInChI=1S/C24H18ClN.ClH/c25-24(20-9-2-1-3-10-20)21-11-6-7-18(17-21)13-15-22-16-14-19-8-4-5-12-23(19)26-22;/h1-17,24H;1H/b15-13+;
InChIKeyMADZCTSDTLWGFS-GVYCEHEKSA-N
MW392.33 g/mol
LogP7.16
Rot. Bonds4

About 2-[(E)-2-[3-[chloro(phenyl)methyl]phenyl]ethenyl]quinoline;hydrochloride

2-[(E)-2-[3-[chloro(phenyl)methyl]phenyl]ethenyl]quinoline;hydrochloride (PubChem CID 19102588) has the molecular formula C24H19Cl2N and a molecular weight of 392.33 g/mol. Its IUPAC name is 2-[(E)-2-[3-[chloro(phenyl)methyl]phenyl]ethenyl]quinoline;hydrochloride.

Molecular Properties

Compound Name2-[(E)-2-[3-[chloro(phenyl)methyl]phenyl]ethenyl]quinoline;hydrochloride
PubChem CID19102588
Molecular FormulaC24H19Cl2N
Molecular Weight392.33 g/mol
Exact Mass391.09
IUPAC Name2-[(E)-2-[3-[chloro(phenyl)methyl]phenyl]ethenyl]quinoline;hydrochloride
SMILESCl.ClC(c1ccccc1)c1cccc(/C=C/c2ccc3ccccc3n2)c1
InChIInChI=1S/C24H18ClN.ClH/c25-24(20-9-2-1-3-10-20)21-11-6-7-18(17-21)13-15-22-16-14-19-8-4-5-12-23(19)26-22;/h1-17,24H;1H/b15-13+;
InChIKeyMADZCTSDTLWGFS-GVYCEHEKSA-N
XLogP7.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.33
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[3-[chloro(phenyl)methyl]phenyl]ethenyl]quinoline;hydrochloride?
The IUPAC name of 2-[(E)-2-[3-[chloro(phenyl)methyl]phenyl]ethenyl]quinoline;hydrochloride (CID 19102588) is 2-[(E)-2-[3-[chloro(phenyl)methyl]phenyl]ethenyl]quinoline;hydrochloride.
What is the SMILES notation for 2-[(E)-2-[3-[chloro(phenyl)methyl]phenyl]ethenyl]quinoline;hydrochloride?
The canonical SMILES for 2-[(E)-2-[3-[chloro(phenyl)methyl]phenyl]ethenyl]quinoline;hydrochloride is Cl.ClC(c1ccccc1)c1cccc(/C=C/c2ccc3ccccc3n2)c1.
What is the InChIKey of 2-[(E)-2-[3-[chloro(phenyl)methyl]phenyl]ethenyl]quinoline;hydrochloride?
The InChIKey is MADZCTSDTLWGFS-GVYCEHEKSA-N. The full InChI is InChI=1S/C24H18ClN.ClH/c25-24(20-9-2-1-3-10-20)21-11-6-7-18(17-21)13-15-22-16-14-19-8-4-5-12-23(19)26-22;/h1-17,24H;1H/b15-13+;.
What are the key properties of 2-[(E)-2-[3-[chloro(phenyl)methyl]phenyl]ethenyl]quinoline;hydrochloride?
2-[(E)-2-[3-[chloro(phenyl)methyl]phenyl]ethenyl]quinoline;hydrochloride has a molecular weight of 392.33 g/mol, XLogP of 7.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[3-[chloro(phenyl)methyl]phenyl]ethenyl]quinoline;hydrochloride is sourced from PubChem (CID 19102588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).