(E)-1-(4-piperidin-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one

C23H22N2O — CID 19560920

IUPAC(E)-1-(4-piperidin-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccnc2ccccc12)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H22N2O/c26-23(13-10-18-14-15-24-22-7-3-2-6-21(18)22)19-8-11-20(12-9-19)25-16-4-1-5-17-25/h2-3,6-15H,1,4-5,16-17H2/b13-10+
InChIKeyXARVUDCAXBLYNI-JLHYYAGUSA-N
MW342.44 g/mol
LogP5.12
Rot. Bonds4

About (E)-1-(4-piperidin-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one

(E)-1-(4-piperidin-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one (PubChem CID 19560920) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is (E)-1-(4-piperidin-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-piperidin-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one
PubChem CID19560920
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name(E)-1-(4-piperidin-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccnc2ccccc12)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H22N2O/c26-23(13-10-18-14-15-24-22-7-3-2-6-21(18)22)19-8-11-20(12-9-19)25-16-4-1-5-17-25/h2-3,6-15H,1,4-5,16-17H2/b13-10+
InChIKeyXARVUDCAXBLYNI-JLHYYAGUSA-N
XLogP5.12
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-piperidin-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-piperidin-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one (CID 19560920) is (E)-1-(4-piperidin-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-piperidin-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-piperidin-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one is O=C(/C=C/c1ccnc2ccccc12)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of (E)-1-(4-piperidin-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one?
The InChIKey is XARVUDCAXBLYNI-JLHYYAGUSA-N. The full InChI is InChI=1S/C23H22N2O/c26-23(13-10-18-14-15-24-22-7-3-2-6-21(18)22)19-8-11-20(12-9-19)25-16-4-1-5-17-25/h2-3,6-15H,1,4-5,16-17H2/b13-10+.
What are the key properties of (E)-1-(4-piperidin-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one?
(E)-1-(4-piperidin-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one has a molecular weight of 342.44 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-piperidin-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one is sourced from PubChem (CID 19560920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).