(Z,E)-3-(4-chlorophenyl)-N-hexoxy-1-pyridin-3-ylprop-2-en-1-imine

C20H23ClN2O — CID 138858194

IUPAC(Z,E)-3-(4-chlorophenyl)-N-hexoxy-1-pyridin-3-ylprop-2-en-1-imine
SMILESCCCCCCO/N=C(/C=C/c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C20H23ClN2O/c1-2-3-4-5-15-24-23-20(18-7-6-14-22-16-18)13-10-17-8-11-19(21)12-9-17/h6-14,16H,2-5,15H2,1H3/b13-10+,23-20-
InChIKeyANFIFHUPYAYROU-UHFGDYHPSA-N
MW342.87 g/mol
LogP5.75
Rot. Bonds9

About (Z,E)-3-(4-chlorophenyl)-N-hexoxy-1-pyridin-3-ylprop-2-en-1-imine

(Z,E)-3-(4-chlorophenyl)-N-hexoxy-1-pyridin-3-ylprop-2-en-1-imine (PubChem CID 138858194) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is (Z,E)-3-(4-chlorophenyl)-N-hexoxy-1-pyridin-3-ylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z,E)-3-(4-chlorophenyl)-N-hexoxy-1-pyridin-3-ylprop-2-en-1-imine
PubChem CID138858194
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name(Z,E)-3-(4-chlorophenyl)-N-hexoxy-1-pyridin-3-ylprop-2-en-1-imine
SMILESCCCCCCO/N=C(/C=C/c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C20H23ClN2O/c1-2-3-4-5-15-24-23-20(18-7-6-14-22-16-18)13-10-17-8-11-19(21)12-9-17/h6-14,16H,2-5,15H2,1H3/b13-10+,23-20-
InChIKeyANFIFHUPYAYROU-UHFGDYHPSA-N
XLogP5.75
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.87
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z,E)-3-(4-chlorophenyl)-N-hexoxy-1-pyridin-3-ylprop-2-en-1-imine 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 (Z,E)-3-(4-chlorophenyl)-N-hexoxy-1-pyridin-3-ylprop-2-en-1-imine?
The IUPAC name of (Z,E)-3-(4-chlorophenyl)-N-hexoxy-1-pyridin-3-ylprop-2-en-1-imine (CID 138858194) is (Z,E)-3-(4-chlorophenyl)-N-hexoxy-1-pyridin-3-ylprop-2-en-1-imine.
What is the SMILES notation for (Z,E)-3-(4-chlorophenyl)-N-hexoxy-1-pyridin-3-ylprop-2-en-1-imine?
The canonical SMILES for (Z,E)-3-(4-chlorophenyl)-N-hexoxy-1-pyridin-3-ylprop-2-en-1-imine is CCCCCCO/N=C(/C=C/c1ccc(Cl)cc1)c1cccnc1.
What is the InChIKey of (Z,E)-3-(4-chlorophenyl)-N-hexoxy-1-pyridin-3-ylprop-2-en-1-imine?
The InChIKey is ANFIFHUPYAYROU-UHFGDYHPSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-2-3-4-5-15-24-23-20(18-7-6-14-22-16-18)13-10-17-8-11-19(21)12-9-17/h6-14,16H,2-5,15H2,1H3/b13-10+,23-20-.
What are the key properties of (Z,E)-3-(4-chlorophenyl)-N-hexoxy-1-pyridin-3-ylprop-2-en-1-imine?
(Z,E)-3-(4-chlorophenyl)-N-hexoxy-1-pyridin-3-ylprop-2-en-1-imine has a molecular weight of 342.87 g/mol, XLogP of 5.75, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,E)-3-(4-chlorophenyl)-N-hexoxy-1-pyridin-3-ylprop-2-en-1-imine is sourced from PubChem (CID 138858194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).