(E)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)-5-phenylpent-4-ene-1,3-dione

C26H19NO4 — CID 54722131

IUPAC(E)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)-5-phenylpent-4-ene-1,3-dione
SMILESO=C(/C=C/c1ccccc1)CC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C26H19NO4/c28-20(16-15-18-9-3-1-4-10-18)17-23(29)24-25(30)21-13-7-8-14-22(21)27(26(24)31)19-11-5-2-6-12-19/h1-16,30H,17H2/b16-15+
InChIKeyAIPIGXGZRHCDOY-FOCLMDBBSA-N
MW409.44 g/mol
LogP4.55
Rot. Bonds6

About (E)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)-5-phenylpent-4-ene-1,3-dione

(E)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)-5-phenylpent-4-ene-1,3-dione (PubChem CID 54722131) has the molecular formula C26H19NO4 and a molecular weight of 409.44 g/mol. Its IUPAC name is (E)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)-5-phenylpent-4-ene-1,3-dione.

Molecular Properties

Compound Name(E)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)-5-phenylpent-4-ene-1,3-dione
PubChem CID54722131
Molecular FormulaC26H19NO4
Molecular Weight409.44 g/mol
Exact Mass409.13
IUPAC Name(E)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)-5-phenylpent-4-ene-1,3-dione
SMILESO=C(/C=C/c1ccccc1)CC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C26H19NO4/c28-20(16-15-18-9-3-1-4-10-18)17-23(29)24-25(30)21-13-7-8-14-22(21)27(26(24)31)19-11-5-2-6-12-19/h1-16,30H,17H2/b16-15+
InChIKeyAIPIGXGZRHCDOY-FOCLMDBBSA-N
XLogP4.55
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)-5-phenylpent-4-ene-1,3-dione?
The IUPAC name of (E)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)-5-phenylpent-4-ene-1,3-dione (CID 54722131) is (E)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)-5-phenylpent-4-ene-1,3-dione.
What is the SMILES notation for (E)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)-5-phenylpent-4-ene-1,3-dione?
The canonical SMILES for (E)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)-5-phenylpent-4-ene-1,3-dione is O=C(/C=C/c1ccccc1)CC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O.
What is the InChIKey of (E)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)-5-phenylpent-4-ene-1,3-dione?
The InChIKey is AIPIGXGZRHCDOY-FOCLMDBBSA-N. The full InChI is InChI=1S/C26H19NO4/c28-20(16-15-18-9-3-1-4-10-18)17-23(29)24-25(30)21-13-7-8-14-22(21)27(26(24)31)19-11-5-2-6-12-19/h1-16,30H,17H2/b16-15+.
What are the key properties of (E)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)-5-phenylpent-4-ene-1,3-dione?
(E)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)-5-phenylpent-4-ene-1,3-dione has a molecular weight of 409.44 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)-5-phenylpent-4-ene-1,3-dione is sourced from PubChem (CID 54722131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).