2-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline

C21H17N5O — CID 54670488

IUPAC2-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
SMILESc1cncc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C21H17N5O/c1-2-6-18-15(4-1)7-8-19(25-18)26-13-17(14-26)27-21-20(23-10-11-24-21)16-5-3-9-22-12-16/h1-12,17H,13-14H2
InChIKeyQPGDCWWRPYPOEH-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.35
Rot. Bonds4

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

2-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline (PubChem CID 54670488) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
PubChem CID54670488
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name2-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
SMILESc1cncc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C21H17N5O/c1-2-6-18-15(4-1)7-8-19(25-18)26-13-17(14-26)27-21-20(23-10-11-24-21)16-5-3-9-22-12-16/h1-12,17H,13-14H2
InChIKeyQPGDCWWRPYPOEH-UHFFFAOYSA-N
XLogP3.35
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline?
The IUPAC name of 2-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline (CID 54670488) is 2-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline is c1cncc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)c1.
What is the InChIKey of 2-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline?
The InChIKey is QPGDCWWRPYPOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c1-2-6-18-15(4-1)7-8-19(25-18)26-13-17(14-26)27-21-20(23-10-11-24-21)16-5-3-9-22-12-16/h1-12,17H,13-14H2.
What are the key properties of 2-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline?
2-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline has a molecular weight of 355.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline is sourced from PubChem (CID 54670488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).