2-quinolin-3-ylprop-2-enoyl chloride;hydrochloride

C12H9Cl2NO — CID 19079187

IUPAC2-quinolin-3-ylprop-2-enoyl chloride;hydrochloride
SMILESC=C(C(=O)Cl)c1cnc2ccccc2c1.Cl
InChIInChI=1S/C12H8ClNO.ClH/c1-8(12(13)15)10-6-9-4-2-3-5-11(9)14-7-10;/h2-7H,1H2;1H
InChIKeyVTZOKJXKKDEFIZ-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.44
Rot. Bonds2

About 2-quinolin-3-ylprop-2-enoyl chloride;hydrochloride

2-quinolin-3-ylprop-2-enoyl chloride;hydrochloride (PubChem CID 19079187) has the molecular formula C12H9Cl2NO and a molecular weight of 254.12 g/mol. Its IUPAC name is 2-quinolin-3-ylprop-2-enoyl chloride;hydrochloride.

Molecular Properties

Compound Name2-quinolin-3-ylprop-2-enoyl chloride;hydrochloride
PubChem CID19079187
Molecular FormulaC12H9Cl2NO
Molecular Weight254.12 g/mol
Exact Mass253.01
IUPAC Name2-quinolin-3-ylprop-2-enoyl chloride;hydrochloride
SMILESC=C(C(=O)Cl)c1cnc2ccccc2c1.Cl
InChIInChI=1S/C12H8ClNO.ClH/c1-8(12(13)15)10-6-9-4-2-3-5-11(9)14-7-10;/h2-7H,1H2;1H
InChIKeyVTZOKJXKKDEFIZ-UHFFFAOYSA-N
XLogP3.44
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-3-ylprop-2-enoyl chloride;hydrochloride?
The IUPAC name of 2-quinolin-3-ylprop-2-enoyl chloride;hydrochloride (CID 19079187) is 2-quinolin-3-ylprop-2-enoyl chloride;hydrochloride.
What is the SMILES notation for 2-quinolin-3-ylprop-2-enoyl chloride;hydrochloride?
The canonical SMILES for 2-quinolin-3-ylprop-2-enoyl chloride;hydrochloride is C=C(C(=O)Cl)c1cnc2ccccc2c1.Cl.
What is the InChIKey of 2-quinolin-3-ylprop-2-enoyl chloride;hydrochloride?
The InChIKey is VTZOKJXKKDEFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO.ClH/c1-8(12(13)15)10-6-9-4-2-3-5-11(9)14-7-10;/h2-7H,1H2;1H.
What are the key properties of 2-quinolin-3-ylprop-2-enoyl chloride;hydrochloride?
2-quinolin-3-ylprop-2-enoyl chloride;hydrochloride has a molecular weight of 254.12 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-3-ylprop-2-enoyl chloride;hydrochloride is sourced from PubChem (CID 19079187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).