2-prop-2-enyl-6-(quinoxalin-6-yliminomethyl)phenol

C18H15N3O — CID 623730

IUPAC2-prop-2-enyl-6-(quinoxalin-6-yliminomethyl)phenol
SMILESC=CCc1cccc(/C=N/c2ccc3nccnc3c2)c1O
InChIInChI=1S/C18H15N3O/c1-2-4-13-5-3-6-14(18(13)22)12-21-15-7-8-16-17(11-15)20-10-9-19-16/h2-3,5-12,22H,1,4H2/b21-12+
InChIKeyUMVMEHSXZQMRKX-CIAFOILYSA-N
MW289.34 g/mol
LogP3.81
Rot. Bonds4

About 2-prop-2-enyl-6-(quinoxalin-6-yliminomethyl)phenol

2-prop-2-enyl-6-(quinoxalin-6-yliminomethyl)phenol (PubChem CID 623730) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-prop-2-enyl-6-(quinoxalin-6-yliminomethyl)phenol.

Molecular Properties

Compound Name2-prop-2-enyl-6-(quinoxalin-6-yliminomethyl)phenol
PubChem CID623730
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name2-prop-2-enyl-6-(quinoxalin-6-yliminomethyl)phenol
SMILESC=CCc1cccc(/C=N/c2ccc3nccnc3c2)c1O
InChIInChI=1S/C18H15N3O/c1-2-4-13-5-3-6-14(18(13)22)12-21-15-7-8-16-17(11-15)20-10-9-19-16/h2-3,5-12,22H,1,4H2/b21-12+
InChIKeyUMVMEHSXZQMRKX-CIAFOILYSA-N
XLogP3.81
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-prop-2-enyl-6-(quinoxalin-6-yliminomethyl)phenol 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 2-prop-2-enyl-6-(quinoxalin-6-yliminomethyl)phenol?
The IUPAC name of 2-prop-2-enyl-6-(quinoxalin-6-yliminomethyl)phenol (CID 623730) is 2-prop-2-enyl-6-(quinoxalin-6-yliminomethyl)phenol.
What is the SMILES notation for 2-prop-2-enyl-6-(quinoxalin-6-yliminomethyl)phenol?
The canonical SMILES for 2-prop-2-enyl-6-(quinoxalin-6-yliminomethyl)phenol is C=CCc1cccc(/C=N/c2ccc3nccnc3c2)c1O.
What is the InChIKey of 2-prop-2-enyl-6-(quinoxalin-6-yliminomethyl)phenol?
The InChIKey is UMVMEHSXZQMRKX-CIAFOILYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-2-4-13-5-3-6-14(18(13)22)12-21-15-7-8-16-17(11-15)20-10-9-19-16/h2-3,5-12,22H,1,4H2/b21-12+.
What are the key properties of 2-prop-2-enyl-6-(quinoxalin-6-yliminomethyl)phenol?
2-prop-2-enyl-6-(quinoxalin-6-yliminomethyl)phenol has a molecular weight of 289.34 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-6-(quinoxalin-6-yliminomethyl)phenol is sourced from PubChem (CID 623730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).