(E)-1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one

C17H12N2O — CID 25142799

IUPAC(E)-1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc2ccccc2n1)c1ccncc1
InChIInChI=1S/C17H12N2O/c20-17(14-9-11-18-12-10-14)8-7-15-6-5-13-3-1-2-4-16(13)19-15/h1-12H/b8-7+
InChIKeyUJJUKZPBUMCSJZ-BQYQJAHWSA-N
MW260.30 g/mol
LogP3.53
Rot. Bonds3

About (E)-1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one

(E)-1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one (PubChem CID 25142799) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is (E)-1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one
PubChem CID25142799
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name(E)-1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc2ccccc2n1)c1ccncc1
InChIInChI=1S/C17H12N2O/c20-17(14-9-11-18-12-10-14)8-7-15-6-5-13-3-1-2-4-16(13)19-15/h1-12H/b8-7+
InChIKeyUJJUKZPBUMCSJZ-BQYQJAHWSA-N
XLogP3.53
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.53
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-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one (CID 25142799) is (E)-1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one is O=C(/C=C/c1ccc2ccccc2n1)c1ccncc1.
What is the InChIKey of (E)-1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one?
The InChIKey is UJJUKZPBUMCSJZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H12N2O/c20-17(14-9-11-18-12-10-14)8-7-15-6-5-13-3-1-2-4-16(13)19-15/h1-12H/b8-7+.
What are the key properties of (E)-1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one?
(E)-1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one has a molecular weight of 260.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one is sourced from PubChem (CID 25142799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).