4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol

C17H15N3O2 — CID 135468585

IUPAC4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESCc1cc(N/N=C/c2ccc(O)cc2O)c2ccccc2n1
InChIInChI=1S/C17H15N3O2/c1-11-8-16(14-4-2-3-5-15(14)19-11)20-18-10-12-6-7-13(21)9-17(12)22/h2-10,21-22H,1H3,(H,19,20)/b18-10+
InChIKeyGLIVMCXADCEBOE-VCHYOVAHSA-N
MW293.33 g/mol
LogP3.40
Rot. Bonds3

About 4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol

4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 135468585) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID135468585
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESCc1cc(N/N=C/c2ccc(O)cc2O)c2ccccc2n1
InChIInChI=1S/C17H15N3O2/c1-11-8-16(14-4-2-3-5-15(14)19-11)20-18-10-12-6-7-13(21)9-17(12)22/h2-10,21-22H,1H3,(H,19,20)/b18-10+
InChIKeyGLIVMCXADCEBOE-VCHYOVAHSA-N
XLogP3.40
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol 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-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol (CID 135468585) is 4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol is Cc1cc(N/N=C/c2ccc(O)cc2O)c2ccccc2n1.
What is the InChIKey of 4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is GLIVMCXADCEBOE-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-8-16(14-4-2-3-5-15(14)19-11)20-18-10-12-6-7-13(21)9-17(12)22/h2-10,21-22H,1H3,(H,19,20)/b18-10+.
What are the key properties of 4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 293.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 135468585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).