2-[3-(3-phenylpyrazin-2-yl)oxyazetidin-1-yl]quinoline

C22H18N4O — CID 58548080

IUPAC2-[3-(3-phenylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
SMILESc1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C22H18N4O/c1-2-7-17(8-3-1)21-22(24-13-12-23-21)27-18-14-26(15-18)20-11-10-16-6-4-5-9-19(16)25-20/h1-13,18H,14-15H2
InChIKeyUJACTAJNQKYLIS-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.96
Rot. Bonds4

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

2-[3-(3-phenylpyrazin-2-yl)oxyazetidin-1-yl]quinoline (PubChem CID 58548080) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[3-(3-phenylpyrazin-2-yl)oxyazetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-(3-phenylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
PubChem CID58548080
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name2-[3-(3-phenylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
SMILESc1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C22H18N4O/c1-2-7-17(8-3-1)21-22(24-13-12-23-21)27-18-14-26(15-18)20-11-10-16-6-4-5-9-19(16)25-20/h1-13,18H,14-15H2
InChIKeyUJACTAJNQKYLIS-UHFFFAOYSA-N
XLogP3.96
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(3-phenylpyrazin-2-yl)oxyazetidin-1-yl]quinoline 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-[3-(3-phenylpyrazin-2-yl)oxyazetidin-1-yl]quinoline?
The IUPAC name of 2-[3-(3-phenylpyrazin-2-yl)oxyazetidin-1-yl]quinoline (CID 58548080) is 2-[3-(3-phenylpyrazin-2-yl)oxyazetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-(3-phenylpyrazin-2-yl)oxyazetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-(3-phenylpyrazin-2-yl)oxyazetidin-1-yl]quinoline is c1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cc1.
What is the InChIKey of 2-[3-(3-phenylpyrazin-2-yl)oxyazetidin-1-yl]quinoline?
The InChIKey is UJACTAJNQKYLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-2-7-17(8-3-1)21-22(24-13-12-23-21)27-18-14-26(15-18)20-11-10-16-6-4-5-9-19(16)25-20/h1-13,18H,14-15H2.
What are the key properties of 2-[3-(3-phenylpyrazin-2-yl)oxyazetidin-1-yl]quinoline?
2-[3-(3-phenylpyrazin-2-yl)oxyazetidin-1-yl]quinoline has a molecular weight of 354.41 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-phenylpyrazin-2-yl)oxyazetidin-1-yl]quinoline is sourced from PubChem (CID 58548080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).