2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)naphthalene-1,4-dione

C16H8ClN3O2 — CID 45141514

IUPAC2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)naphthalene-1,4-dione
SMILESO=C1C=C(c2cnc3ccc(Cl)nn23)C(=O)c2ccccc21
InChIInChI=1S/C16H8ClN3O2/c17-14-5-6-15-18-8-12(20(15)19-14)11-7-13(21)9-3-1-2-4-10(9)16(11)22/h1-8H
InChIKeyWKRSDJJVSWCWEA-UHFFFAOYSA-N
MW309.71 g/mol
LogP2.85
Rot. Bonds1

About 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)naphthalene-1,4-dione

2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)naphthalene-1,4-dione (PubChem CID 45141514) has the molecular formula C16H8ClN3O2 and a molecular weight of 309.71 g/mol. Its IUPAC name is 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)naphthalene-1,4-dione.

Molecular Properties

Compound Name2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)naphthalene-1,4-dione
PubChem CID45141514
Molecular FormulaC16H8ClN3O2
Molecular Weight309.71 g/mol
Exact Mass309.03
IUPAC Name2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)naphthalene-1,4-dione
SMILESO=C1C=C(c2cnc3ccc(Cl)nn23)C(=O)c2ccccc21
InChIInChI=1S/C16H8ClN3O2/c17-14-5-6-15-18-8-12(20(15)19-14)11-7-13(21)9-3-1-2-4-10(9)16(11)22/h1-8H
InChIKeyWKRSDJJVSWCWEA-UHFFFAOYSA-N
XLogP2.85
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.71
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)naphthalene-1,4-dione 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 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)naphthalene-1,4-dione?
The IUPAC name of 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)naphthalene-1,4-dione (CID 45141514) is 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)naphthalene-1,4-dione.
What is the SMILES notation for 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)naphthalene-1,4-dione?
The canonical SMILES for 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)naphthalene-1,4-dione is O=C1C=C(c2cnc3ccc(Cl)nn23)C(=O)c2ccccc21.
What is the InChIKey of 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)naphthalene-1,4-dione?
The InChIKey is WKRSDJJVSWCWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClN3O2/c17-14-5-6-15-18-8-12(20(15)19-14)11-7-13(21)9-3-1-2-4-10(9)16(11)22/h1-8H.
What are the key properties of 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)naphthalene-1,4-dione?
2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)naphthalene-1,4-dione has a molecular weight of 309.71 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)naphthalene-1,4-dione is sourced from PubChem (CID 45141514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).