(E)-1-(2,4-dichlorophenyl)-3-quinolin-4-ylprop-2-en-1-one

C18H11Cl2NO — CID 10426615

IUPAC(E)-1-(2,4-dichlorophenyl)-3-quinolin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccnc2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H11Cl2NO/c19-13-6-7-15(16(20)11-13)18(22)8-5-12-9-10-21-17-4-2-1-3-14(12)17/h1-11H/b8-5+
InChIKeyXPGZJSJHBATRIG-VMPITWQZSA-N
MW328.20 g/mol
LogP5.44
Rot. Bonds3

About (E)-1-(2,4-dichlorophenyl)-3-quinolin-4-ylprop-2-en-1-one

(E)-1-(2,4-dichlorophenyl)-3-quinolin-4-ylprop-2-en-1-one (PubChem CID 10426615) has the molecular formula C18H11Cl2NO and a molecular weight of 328.20 g/mol. Its IUPAC name is (E)-1-(2,4-dichlorophenyl)-3-quinolin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,4-dichlorophenyl)-3-quinolin-4-ylprop-2-en-1-one
PubChem CID10426615
Molecular FormulaC18H11Cl2NO
Molecular Weight328.20 g/mol
Exact Mass327.02
IUPAC Name(E)-1-(2,4-dichlorophenyl)-3-quinolin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccnc2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H11Cl2NO/c19-13-6-7-15(16(20)11-13)18(22)8-5-12-9-10-21-17-4-2-1-3-14(12)17/h1-11H/b8-5+
InChIKeyXPGZJSJHBATRIG-VMPITWQZSA-N
XLogP5.44
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.20
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,4-dichlorophenyl)-3-quinolin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(2,4-dichlorophenyl)-3-quinolin-4-ylprop-2-en-1-one (CID 10426615) is (E)-1-(2,4-dichlorophenyl)-3-quinolin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,4-dichlorophenyl)-3-quinolin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(2,4-dichlorophenyl)-3-quinolin-4-ylprop-2-en-1-one is O=C(/C=C/c1ccnc2ccccc12)c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-1-(2,4-dichlorophenyl)-3-quinolin-4-ylprop-2-en-1-one?
The InChIKey is XPGZJSJHBATRIG-VMPITWQZSA-N. The full InChI is InChI=1S/C18H11Cl2NO/c19-13-6-7-15(16(20)11-13)18(22)8-5-12-9-10-21-17-4-2-1-3-14(12)17/h1-11H/b8-5+.
What are the key properties of (E)-1-(2,4-dichlorophenyl)-3-quinolin-4-ylprop-2-en-1-one?
(E)-1-(2,4-dichlorophenyl)-3-quinolin-4-ylprop-2-en-1-one has a molecular weight of 328.20 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,4-dichlorophenyl)-3-quinolin-4-ylprop-2-en-1-one is sourced from PubChem (CID 10426615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).