2-[3-(6-chloropyridazin-3-yl)oxyazetidin-1-yl]quinoline

C16H13ClN4O — CID 58547744

IUPAC2-[3-(6-chloropyridazin-3-yl)oxyazetidin-1-yl]quinoline
SMILESClc1ccc(OC2CN(c3ccc4ccccc4n3)C2)nn1
InChIInChI=1S/C16H13ClN4O/c17-14-6-8-16(20-19-14)22-12-9-21(10-12)15-7-5-11-3-1-2-4-13(11)18-15/h1-8,12H,9-10H2
InChIKeyZUMPRPLCTHFGNT-UHFFFAOYSA-N
MW312.76 g/mol
LogP2.95
Rot. Bonds3

About 2-[3-(6-chloropyridazin-3-yl)oxyazetidin-1-yl]quinoline

2-[3-(6-chloropyridazin-3-yl)oxyazetidin-1-yl]quinoline (PubChem CID 58547744) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 2-[3-(6-chloropyridazin-3-yl)oxyazetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-(6-chloropyridazin-3-yl)oxyazetidin-1-yl]quinoline
PubChem CID58547744
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name2-[3-(6-chloropyridazin-3-yl)oxyazetidin-1-yl]quinoline
SMILESClc1ccc(OC2CN(c3ccc4ccccc4n3)C2)nn1
InChIInChI=1S/C16H13ClN4O/c17-14-6-8-16(20-19-14)22-12-9-21(10-12)15-7-5-11-3-1-2-4-13(11)18-15/h1-8,12H,9-10H2
InChIKeyZUMPRPLCTHFGNT-UHFFFAOYSA-N
XLogP2.95
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-chloropyridazin-3-yl)oxyazetidin-1-yl]quinoline?
The IUPAC name of 2-[3-(6-chloropyridazin-3-yl)oxyazetidin-1-yl]quinoline (CID 58547744) is 2-[3-(6-chloropyridazin-3-yl)oxyazetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-(6-chloropyridazin-3-yl)oxyazetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-(6-chloropyridazin-3-yl)oxyazetidin-1-yl]quinoline is Clc1ccc(OC2CN(c3ccc4ccccc4n3)C2)nn1.
What is the InChIKey of 2-[3-(6-chloropyridazin-3-yl)oxyazetidin-1-yl]quinoline?
The InChIKey is ZUMPRPLCTHFGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-14-6-8-16(20-19-14)22-12-9-21(10-12)15-7-5-11-3-1-2-4-13(11)18-15/h1-8,12H,9-10H2.
What are the key properties of 2-[3-(6-chloropyridazin-3-yl)oxyazetidin-1-yl]quinoline?
2-[3-(6-chloropyridazin-3-yl)oxyazetidin-1-yl]quinoline has a molecular weight of 312.76 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-chloropyridazin-3-yl)oxyazetidin-1-yl]quinoline is sourced from PubChem (CID 58547744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).