(4-quinoxalin-2-ylphenyl) (E)-3-phenylprop-2-enoate

C23H16N2O2 — CID 1254915

IUPAC(4-quinoxalin-2-ylphenyl) (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)Oc1ccc(-c2cnc3ccccc3n2)cc1
InChIInChI=1S/C23H16N2O2/c26-23(15-10-17-6-2-1-3-7-17)27-19-13-11-18(12-14-19)22-16-24-20-8-4-5-9-21(20)25-22/h1-16H/b15-10+
InChIKeyWCNQAVGDDYQPCK-XNTDXEJSSA-N
MW352.39 g/mol
LogP4.92
Rot. Bonds4

About (4-quinoxalin-2-ylphenyl) (E)-3-phenylprop-2-enoate

(4-quinoxalin-2-ylphenyl) (E)-3-phenylprop-2-enoate (PubChem CID 1254915) has the molecular formula C23H16N2O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is (4-quinoxalin-2-ylphenyl) (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name(4-quinoxalin-2-ylphenyl) (E)-3-phenylprop-2-enoate
PubChem CID1254915
Molecular FormulaC23H16N2O2
Molecular Weight352.39 g/mol
Exact Mass352.12
IUPAC Name(4-quinoxalin-2-ylphenyl) (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)Oc1ccc(-c2cnc3ccccc3n2)cc1
InChIInChI=1S/C23H16N2O2/c26-23(15-10-17-6-2-1-3-7-17)27-19-13-11-18(12-14-19)22-16-24-20-8-4-5-9-21(20)25-22/h1-16H/b15-10+
InChIKeyWCNQAVGDDYQPCK-XNTDXEJSSA-N
XLogP4.92
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-quinoxalin-2-ylphenyl) (E)-3-phenylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-quinoxalin-2-ylphenyl) (E)-3-phenylprop-2-enoate?
The IUPAC name of (4-quinoxalin-2-ylphenyl) (E)-3-phenylprop-2-enoate (CID 1254915) is (4-quinoxalin-2-ylphenyl) (E)-3-phenylprop-2-enoate.
What is the SMILES notation for (4-quinoxalin-2-ylphenyl) (E)-3-phenylprop-2-enoate?
The canonical SMILES for (4-quinoxalin-2-ylphenyl) (E)-3-phenylprop-2-enoate is O=C(/C=C/c1ccccc1)Oc1ccc(-c2cnc3ccccc3n2)cc1.
What is the InChIKey of (4-quinoxalin-2-ylphenyl) (E)-3-phenylprop-2-enoate?
The InChIKey is WCNQAVGDDYQPCK-XNTDXEJSSA-N. The full InChI is InChI=1S/C23H16N2O2/c26-23(15-10-17-6-2-1-3-7-17)27-19-13-11-18(12-14-19)22-16-24-20-8-4-5-9-21(20)25-22/h1-16H/b15-10+.
What are the key properties of (4-quinoxalin-2-ylphenyl) (E)-3-phenylprop-2-enoate?
(4-quinoxalin-2-ylphenyl) (E)-3-phenylprop-2-enoate has a molecular weight of 352.39 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-quinoxalin-2-ylphenyl) (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 1254915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).