2-[2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethyl]isoindole-1,3-dione

C16H11ClN4O2 — CID 122538404

IUPAC2-[2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1cn2nc(Cl)ccc2n1
InChIInChI=1S/C16H11ClN4O2/c17-13-5-6-14-18-10(9-21(14)19-13)7-8-20-15(22)11-3-1-2-4-12(11)16(20)23/h1-6,9H,7-8H2
InChIKeyQDFZGLMORYJOLW-UHFFFAOYSA-N
MW326.74 g/mol
LogP2.22
Rot. Bonds3

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

2-[2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethyl]isoindole-1,3-dione (PubChem CID 122538404) has the molecular formula C16H11ClN4O2 and a molecular weight of 326.74 g/mol. Its IUPAC name is 2-[2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethyl]isoindole-1,3-dione
PubChem CID122538404
Molecular FormulaC16H11ClN4O2
Molecular Weight326.74 g/mol
Exact Mass326.06
IUPAC Name2-[2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1cn2nc(Cl)ccc2n1
InChIInChI=1S/C16H11ClN4O2/c17-13-5-6-14-18-10(9-21(14)19-13)7-8-20-15(22)11-3-1-2-4-12(11)16(20)23/h1-6,9H,7-8H2
InChIKeyQDFZGLMORYJOLW-UHFFFAOYSA-N
XLogP2.22
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethyl]isoindole-1,3-dione (CID 122538404) is 2-[2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCc1cn2nc(Cl)ccc2n1.
What is the InChIKey of 2-[2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethyl]isoindole-1,3-dione?
The InChIKey is QDFZGLMORYJOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O2/c17-13-5-6-14-18-10(9-21(14)19-13)7-8-20-15(22)11-3-1-2-4-12(11)16(20)23/h1-6,9H,7-8H2.
What are the key properties of 2-[2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethyl]isoindole-1,3-dione?
2-[2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethyl]isoindole-1,3-dione has a molecular weight of 326.74 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 122538404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).