5-methyl-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol

C17H15N3O — CID 135421656

IUPAC5-methyl-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol
SMILESCc1ccc(/C=N/Nc2cccc3cccnc23)c(O)c1
InChIInChI=1S/C17H15N3O/c1-12-7-8-14(16(21)10-12)11-19-20-15-6-2-4-13-5-3-9-18-17(13)15/h2-11,20-21H,1H3/b19-11+
InChIKeyZBJPAPFVFRJLEQ-YBFXNURJSA-N
MW277.33 g/mol
LogP3.69
Rot. Bonds3

About 5-methyl-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol

5-methyl-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol (PubChem CID 135421656) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 5-methyl-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name5-methyl-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol
PubChem CID135421656
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name5-methyl-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol
SMILESCc1ccc(/C=N/Nc2cccc3cccnc23)c(O)c1
InChIInChI=1S/C17H15N3O/c1-12-7-8-14(16(21)10-12)11-19-20-15-6-2-4-13-5-3-9-18-17(13)15/h2-11,20-21H,1H3/b19-11+
InChIKeyZBJPAPFVFRJLEQ-YBFXNURJSA-N
XLogP3.69
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-methyl-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]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 5-methyl-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 5-methyl-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol (CID 135421656) is 5-methyl-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 5-methyl-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 5-methyl-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol is Cc1ccc(/C=N/Nc2cccc3cccnc23)c(O)c1.
What is the InChIKey of 5-methyl-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol?
The InChIKey is ZBJPAPFVFRJLEQ-YBFXNURJSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-7-8-14(16(21)10-12)11-19-20-15-6-2-4-13-5-3-9-18-17(13)15/h2-11,20-21H,1H3/b19-11+.
What are the key properties of 5-methyl-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol?
5-methyl-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol has a molecular weight of 277.33 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135421656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).