(5,7-dimethoxy-4-phenylisoquinolin-1-yl)hydrazine

C17H17N3O2 — CID 11748454

IUPAC(5,7-dimethoxy-4-phenylisoquinolin-1-yl)hydrazine
SMILESCOc1cc(OC)c2c(-c3ccccc3)cnc(NN)c2c1
InChIInChI=1S/C17H17N3O2/c1-21-12-8-13-16(15(9-12)22-2)14(10-19-17(13)20-18)11-6-4-3-5-7-11/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyJOZACXAQOOWOTA-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.20
Rot. Bonds4

About (5,7-dimethoxy-4-phenylisoquinolin-1-yl)hydrazine

(5,7-dimethoxy-4-phenylisoquinolin-1-yl)hydrazine (PubChem CID 11748454) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is (5,7-dimethoxy-4-phenylisoquinolin-1-yl)hydrazine.

Molecular Properties

Compound Name(5,7-dimethoxy-4-phenylisoquinolin-1-yl)hydrazine
PubChem CID11748454
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name(5,7-dimethoxy-4-phenylisoquinolin-1-yl)hydrazine
SMILESCOc1cc(OC)c2c(-c3ccccc3)cnc(NN)c2c1
InChIInChI=1S/C17H17N3O2/c1-21-12-8-13-16(15(9-12)22-2)14(10-19-17(13)20-18)11-6-4-3-5-7-11/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyJOZACXAQOOWOTA-UHFFFAOYSA-N
XLogP3.20
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5,7-dimethoxy-4-phenylisoquinolin-1-yl)hydrazine 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 (5,7-dimethoxy-4-phenylisoquinolin-1-yl)hydrazine?
The IUPAC name of (5,7-dimethoxy-4-phenylisoquinolin-1-yl)hydrazine (CID 11748454) is (5,7-dimethoxy-4-phenylisoquinolin-1-yl)hydrazine.
What is the SMILES notation for (5,7-dimethoxy-4-phenylisoquinolin-1-yl)hydrazine?
The canonical SMILES for (5,7-dimethoxy-4-phenylisoquinolin-1-yl)hydrazine is COc1cc(OC)c2c(-c3ccccc3)cnc(NN)c2c1.
What is the InChIKey of (5,7-dimethoxy-4-phenylisoquinolin-1-yl)hydrazine?
The InChIKey is JOZACXAQOOWOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-21-12-8-13-16(15(9-12)22-2)14(10-19-17(13)20-18)11-6-4-3-5-7-11/h3-10H,18H2,1-2H3,(H,19,20).
What are the key properties of (5,7-dimethoxy-4-phenylisoquinolin-1-yl)hydrazine?
(5,7-dimethoxy-4-phenylisoquinolin-1-yl)hydrazine has a molecular weight of 295.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethoxy-4-phenylisoquinolin-1-yl)hydrazine is sourced from PubChem (CID 11748454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).