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

C21H23N5O — CID 58548016

IUPAC2-[3-(3-piperidin-1-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
SMILESc1ccc2nc(N3CC(Oc4nccnc4N4CCCCC4)C3)ccc2c1
InChIInChI=1S/C21H23N5O/c1-4-12-25(13-5-1)20-21(23-11-10-22-20)27-17-14-26(15-17)19-9-8-16-6-2-3-7-18(16)24-19/h2-3,6-11,17H,1,4-5,12-15H2
InChIKeyUWKGGSRAFMSBPH-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.28
Rot. Bonds4

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

2-[3-(3-piperidin-1-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline (PubChem CID 58548016) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[3-(3-piperidin-1-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-(3-piperidin-1-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
PubChem CID58548016
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2-[3-(3-piperidin-1-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
SMILESc1ccc2nc(N3CC(Oc4nccnc4N4CCCCC4)C3)ccc2c1
InChIInChI=1S/C21H23N5O/c1-4-12-25(13-5-1)20-21(23-11-10-22-20)27-17-14-26(15-17)19-9-8-16-6-2-3-7-18(16)24-19/h2-3,6-11,17H,1,4-5,12-15H2
InChIKeyUWKGGSRAFMSBPH-UHFFFAOYSA-N
XLogP3.28
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-piperidin-1-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline?
The IUPAC name of 2-[3-(3-piperidin-1-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline (CID 58548016) is 2-[3-(3-piperidin-1-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-(3-piperidin-1-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-(3-piperidin-1-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline is c1ccc2nc(N3CC(Oc4nccnc4N4CCCCC4)C3)ccc2c1.
What is the InChIKey of 2-[3-(3-piperidin-1-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline?
The InChIKey is UWKGGSRAFMSBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-4-12-25(13-5-1)20-21(23-11-10-22-20)27-17-14-26(15-17)19-9-8-16-6-2-3-7-18(16)24-19/h2-3,6-11,17H,1,4-5,12-15H2.
What are the key properties of 2-[3-(3-piperidin-1-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline?
2-[3-(3-piperidin-1-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline has a molecular weight of 361.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-piperidin-1-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline is sourced from PubChem (CID 58548016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).