(E)-1-(2-hydroxyphenyl)-3-quinolin-3-ylprop-2-en-1-one

C18H13NO2 — CID 13153282

IUPAC(E)-1-(2-hydroxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cnc2ccccc2c1)c1ccccc1O
InChIInChI=1S/C18H13NO2/c20-17-8-4-2-6-15(17)18(21)10-9-13-11-14-5-1-3-7-16(14)19-12-13/h1-12,20H/b10-9+
InChIKeyXQYGZCMONHKNGA-MDZDMXLPSA-N
MW275.31 g/mol
LogP3.84
Rot. Bonds3

About (E)-1-(2-hydroxyphenyl)-3-quinolin-3-ylprop-2-en-1-one

(E)-1-(2-hydroxyphenyl)-3-quinolin-3-ylprop-2-en-1-one (PubChem CID 13153282) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is (E)-1-(2-hydroxyphenyl)-3-quinolin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-hydroxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
PubChem CID13153282
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name(E)-1-(2-hydroxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cnc2ccccc2c1)c1ccccc1O
InChIInChI=1S/C18H13NO2/c20-17-8-4-2-6-15(17)18(21)10-9-13-11-14-5-1-3-7-16(14)19-12-13/h1-12,20H/b10-9+
InChIKeyXQYGZCMONHKNGA-MDZDMXLPSA-N
XLogP3.84
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
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-(2-hydroxyphenyl)-3-quinolin-3-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(2-hydroxyphenyl)-3-quinolin-3-ylprop-2-en-1-one (CID 13153282) is (E)-1-(2-hydroxyphenyl)-3-quinolin-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-hydroxyphenyl)-3-quinolin-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(2-hydroxyphenyl)-3-quinolin-3-ylprop-2-en-1-one is O=C(/C=C/c1cnc2ccccc2c1)c1ccccc1O.
What is the InChIKey of (E)-1-(2-hydroxyphenyl)-3-quinolin-3-ylprop-2-en-1-one?
The InChIKey is XQYGZCMONHKNGA-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H13NO2/c20-17-8-4-2-6-15(17)18(21)10-9-13-11-14-5-1-3-7-16(14)19-12-13/h1-12,20H/b10-9+.
What are the key properties of (E)-1-(2-hydroxyphenyl)-3-quinolin-3-ylprop-2-en-1-one?
(E)-1-(2-hydroxyphenyl)-3-quinolin-3-ylprop-2-en-1-one has a molecular weight of 275.31 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-hydroxyphenyl)-3-quinolin-3-ylprop-2-en-1-one is sourced from PubChem (CID 13153282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).