2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline

C21H20N4O2 — CID 54670397

IUPAC2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
SMILESC1=C(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CCOC1
InChIInChI=1S/C21H20N4O2/c1-2-4-18-15(3-1)5-6-19(24-18)25-13-17(14-25)27-21-20(22-9-10-23-21)16-7-11-26-12-8-16/h1-7,9-10,17H,8,11-14H2
InChIKeyPDKTZRBNGYEHBA-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.10
Rot. Bonds4

About 2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline

2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline (PubChem CID 54670397) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
PubChem CID54670397
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
SMILESC1=C(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CCOC1
InChIInChI=1S/C21H20N4O2/c1-2-4-18-15(3-1)5-6-19(24-18)25-13-17(14-25)27-21-20(22-9-10-23-21)16-7-11-26-12-8-16/h1-7,9-10,17H,8,11-14H2
InChIKeyPDKTZRBNGYEHBA-UHFFFAOYSA-N
XLogP3.10
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-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-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline (CID 54670397) is 2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline is C1=C(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CCOC1.
What is the InChIKey of 2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
The InChIKey is PDKTZRBNGYEHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-2-4-18-15(3-1)5-6-19(24-18)25-13-17(14-25)27-21-20(22-9-10-23-21)16-7-11-26-12-8-16/h1-7,9-10,17H,8,11-14H2.
What are the key properties of 2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline has a molecular weight of 360.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline is sourced from PubChem (CID 54670397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).