2-[3-(3-pyrimidin-5-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline

C20H16N6O — CID 58548022

IUPAC2-[3-(3-pyrimidin-5-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
SMILESc1ccc2nc(N3CC(Oc4nccnc4-c4cncnc4)C3)ccc2c1
InChIInChI=1S/C20H16N6O/c1-2-4-17-14(3-1)5-6-18(25-17)26-11-16(12-26)27-20-19(23-7-8-24-20)15-9-21-13-22-10-15/h1-10,13,16H,11-12H2
InChIKeyIIVZOVNMVVDEFY-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.75
Rot. Bonds4

About 2-[3-(3-pyrimidin-5-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline

2-[3-(3-pyrimidin-5-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline (PubChem CID 58548022) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-[3-(3-pyrimidin-5-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-(3-pyrimidin-5-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
PubChem CID58548022
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name2-[3-(3-pyrimidin-5-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
SMILESc1ccc2nc(N3CC(Oc4nccnc4-c4cncnc4)C3)ccc2c1
InChIInChI=1S/C20H16N6O/c1-2-4-17-14(3-1)5-6-18(25-17)26-11-16(12-26)27-20-19(23-7-8-24-20)15-9-21-13-22-10-15/h1-10,13,16H,11-12H2
InChIKeyIIVZOVNMVVDEFY-UHFFFAOYSA-N
XLogP2.75
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-pyrimidin-5-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline?
The IUPAC name of 2-[3-(3-pyrimidin-5-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline (CID 58548022) is 2-[3-(3-pyrimidin-5-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-(3-pyrimidin-5-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-(3-pyrimidin-5-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline is c1ccc2nc(N3CC(Oc4nccnc4-c4cncnc4)C3)ccc2c1.
What is the InChIKey of 2-[3-(3-pyrimidin-5-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline?
The InChIKey is IIVZOVNMVVDEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O/c1-2-4-17-14(3-1)5-6-18(25-17)26-11-16(12-26)27-20-19(23-7-8-24-20)15-9-21-13-22-10-15/h1-10,13,16H,11-12H2.
What are the key properties of 2-[3-(3-pyrimidin-5-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline?
2-[3-(3-pyrimidin-5-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline has a molecular weight of 356.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-pyrimidin-5-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline is sourced from PubChem (CID 58548022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).