(4-methoxyphenyl)methyl-(6-methoxyquinolin-4-yl)diazene

C18H17N3O2 — CID 91424367

IUPAC(4-methoxyphenyl)methyl-(6-methoxyquinolin-4-yl)diazene
SMILESCOc1ccc(C/N=N/c2ccnc3ccc(OC)cc23)cc1
InChIInChI=1S/C18H17N3O2/c1-22-14-5-3-13(4-6-14)12-20-21-18-9-10-19-17-8-7-15(23-2)11-16(17)18/h3-11H,12H2,1-2H3/b21-20+
InChIKeyUPVROWXQSYCCRX-QZQOTICOSA-N
MW307.35 g/mol
LogP4.54
Rot. Bonds5

About (4-methoxyphenyl)methyl-(6-methoxyquinolin-4-yl)diazene

(4-methoxyphenyl)methyl-(6-methoxyquinolin-4-yl)diazene (PubChem CID 91424367) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl-(6-methoxyquinolin-4-yl)diazene.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl-(6-methoxyquinolin-4-yl)diazene
PubChem CID91424367
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(4-methoxyphenyl)methyl-(6-methoxyquinolin-4-yl)diazene
SMILESCOc1ccc(C/N=N/c2ccnc3ccc(OC)cc23)cc1
InChIInChI=1S/C18H17N3O2/c1-22-14-5-3-13(4-6-14)12-20-21-18-9-10-19-17-8-7-15(23-2)11-16(17)18/h3-11H,12H2,1-2H3/b21-20+
InChIKeyUPVROWXQSYCCRX-QZQOTICOSA-N
XLogP4.54
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze (4-methoxyphenyl)methyl-(6-methoxyquinolin-4-yl)diazene 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-methoxyphenyl)methyl-(6-methoxyquinolin-4-yl)diazene?
The IUPAC name of (4-methoxyphenyl)methyl-(6-methoxyquinolin-4-yl)diazene (CID 91424367) is (4-methoxyphenyl)methyl-(6-methoxyquinolin-4-yl)diazene.
What is the SMILES notation for (4-methoxyphenyl)methyl-(6-methoxyquinolin-4-yl)diazene?
The canonical SMILES for (4-methoxyphenyl)methyl-(6-methoxyquinolin-4-yl)diazene is COc1ccc(C/N=N/c2ccnc3ccc(OC)cc23)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl-(6-methoxyquinolin-4-yl)diazene?
The InChIKey is UPVROWXQSYCCRX-QZQOTICOSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-22-14-5-3-13(4-6-14)12-20-21-18-9-10-19-17-8-7-15(23-2)11-16(17)18/h3-11H,12H2,1-2H3/b21-20+.
What are the key properties of (4-methoxyphenyl)methyl-(6-methoxyquinolin-4-yl)diazene?
(4-methoxyphenyl)methyl-(6-methoxyquinolin-4-yl)diazene has a molecular weight of 307.35 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl-(6-methoxyquinolin-4-yl)diazene is sourced from PubChem (CID 91424367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).