2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-chlorophenol

C23H20ClN7O2 — CID 135419783

IUPAC2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-chlorophenol
SMILESCOc1ccc(Nc2nc(N/N=C/c3cc(Cl)ccc3O)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C23H20ClN7O2/c1-33-19-10-8-18(9-11-19)27-22-28-21(26-17-5-3-2-4-6-17)29-23(30-22)31-25-14-15-13-16(24)7-12-20(15)32/h2-14,32H,1H3,(H3,26,27,28,29,30,31)/b25-14+
InChIKeyKPOUHQFJDIFEDM-AFUMVMLFSA-N
MW461.91 g/mol
LogP5.17
Rot. Bonds8

About 2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-chlorophenol

2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-chlorophenol (PubChem CID 135419783) has the molecular formula C23H20ClN7O2 and a molecular weight of 461.91 g/mol. Its IUPAC name is 2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-chlorophenol.

Molecular Properties

Compound Name2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-chlorophenol
PubChem CID135419783
Molecular FormulaC23H20ClN7O2
Molecular Weight461.91 g/mol
Exact Mass461.14
IUPAC Name2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-chlorophenol
SMILESCOc1ccc(Nc2nc(N/N=C/c3cc(Cl)ccc3O)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C23H20ClN7O2/c1-33-19-10-8-18(9-11-19)27-22-28-21(26-17-5-3-2-4-6-17)29-23(30-22)31-25-14-15-13-16(24)7-12-20(15)32/h2-14,32H,1H3,(H3,26,27,28,29,30,31)/b25-14+
InChIKeyKPOUHQFJDIFEDM-AFUMVMLFSA-N
XLogP5.17
TPSA116.58 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.91
LogP ≤ 55.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-chlorophenol 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-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-chlorophenol?
The IUPAC name of 2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-chlorophenol (CID 135419783) is 2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-chlorophenol.
What is the SMILES notation for 2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-chlorophenol?
The canonical SMILES for 2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-chlorophenol is COc1ccc(Nc2nc(N/N=C/c3cc(Cl)ccc3O)nc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-chlorophenol?
The InChIKey is KPOUHQFJDIFEDM-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H20ClN7O2/c1-33-19-10-8-18(9-11-19)27-22-28-21(26-17-5-3-2-4-6-17)29-23(30-22)31-25-14-15-13-16(24)7-12-20(15)32/h2-14,32H,1H3,(H3,26,27,28,29,30,31)/b25-14+.
What are the key properties of 2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-chlorophenol?
2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-chlorophenol has a molecular weight of 461.91 g/mol, XLogP of 5.17, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-chlorophenol is sourced from PubChem (CID 135419783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).