3-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-4-methoxyphenol

C17H14ClN3O2 — CID 44532559

IUPAC3-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)cc1/C=N/Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C17H14ClN3O2/c1-23-17-5-3-13(22)8-11(17)10-20-21-15-6-7-19-16-9-12(18)2-4-14(15)16/h2-10,22H,1H3,(H,19,21)/b20-10+
InChIKeyGESPVMXAWRWOGS-KEBDBYFISA-N
MW327.77 g/mol
LogP4.05
Rot. Bonds4

About 3-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-4-methoxyphenol

3-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-4-methoxyphenol (PubChem CID 44532559) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 3-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name3-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-4-methoxyphenol
PubChem CID44532559
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name3-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)cc1/C=N/Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C17H14ClN3O2/c1-23-17-5-3-13(22)8-11(17)10-20-21-15-6-7-19-16-9-12(18)2-4-14(15)16/h2-10,22H,1H3,(H,19,21)/b20-10+
InChIKeyGESPVMXAWRWOGS-KEBDBYFISA-N
XLogP4.05
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-4-methoxyphenol 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 3-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-4-methoxyphenol?
The IUPAC name of 3-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-4-methoxyphenol (CID 44532559) is 3-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-4-methoxyphenol.
What is the SMILES notation for 3-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-4-methoxyphenol?
The canonical SMILES for 3-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-4-methoxyphenol is COc1ccc(O)cc1/C=N/Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 3-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-4-methoxyphenol?
The InChIKey is GESPVMXAWRWOGS-KEBDBYFISA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-23-17-5-3-13(22)8-11(17)10-20-21-15-6-7-19-16-9-12(18)2-4-14(15)16/h2-10,22H,1H3,(H,19,21)/b20-10+.
What are the key properties of 3-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-4-methoxyphenol?
3-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-4-methoxyphenol has a molecular weight of 327.77 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-4-methoxyphenol is sourced from PubChem (CID 44532559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).