2-benzyl-3-ethenylquinoline;hydrochloride

C18H16ClN — CID 175293125

IUPAC2-benzyl-3-ethenylquinoline;hydrochloride
SMILESC=Cc1cc2ccccc2nc1Cc1ccccc1.Cl
InChIInChI=1S/C18H15N.ClH/c1-2-15-13-16-10-6-7-11-17(16)19-18(15)12-14-8-4-3-5-9-14;/h2-11,13H,1,12H2;1H
InChIKeyKFWPENXXEHTQLG-UHFFFAOYSA-N
MW281.79 g/mol
LogP4.89
Rot. Bonds3

About 2-benzyl-3-ethenylquinoline;hydrochloride

2-benzyl-3-ethenylquinoline;hydrochloride (PubChem CID 175293125) has the molecular formula C18H16ClN and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-benzyl-3-ethenylquinoline;hydrochloride.

Molecular Properties

Compound Name2-benzyl-3-ethenylquinoline;hydrochloride
PubChem CID175293125
Molecular FormulaC18H16ClN
Molecular Weight281.79 g/mol
Exact Mass281.10
IUPAC Name2-benzyl-3-ethenylquinoline;hydrochloride
SMILESC=Cc1cc2ccccc2nc1Cc1ccccc1.Cl
InChIInChI=1S/C18H15N.ClH/c1-2-15-13-16-10-6-7-11-17(16)19-18(15)12-14-8-4-3-5-9-14;/h2-11,13H,1,12H2;1H
InChIKeyKFWPENXXEHTQLG-UHFFFAOYSA-N
XLogP4.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-ethenylquinoline;hydrochloride?
The IUPAC name of 2-benzyl-3-ethenylquinoline;hydrochloride (CID 175293125) is 2-benzyl-3-ethenylquinoline;hydrochloride.
What is the SMILES notation for 2-benzyl-3-ethenylquinoline;hydrochloride?
The canonical SMILES for 2-benzyl-3-ethenylquinoline;hydrochloride is C=Cc1cc2ccccc2nc1Cc1ccccc1.Cl.
What is the InChIKey of 2-benzyl-3-ethenylquinoline;hydrochloride?
The InChIKey is KFWPENXXEHTQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N.ClH/c1-2-15-13-16-10-6-7-11-17(16)19-18(15)12-14-8-4-3-5-9-14;/h2-11,13H,1,12H2;1H.
What are the key properties of 2-benzyl-3-ethenylquinoline;hydrochloride?
2-benzyl-3-ethenylquinoline;hydrochloride has a molecular weight of 281.79 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-ethenylquinoline;hydrochloride is sourced from PubChem (CID 175293125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).