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

C25H19N5O — CID 58548113

IUPAC2-[3-(3-quinolin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
SMILESc1ccc2ncc(-c3nccnc3OC3CN(c4ccc5ccccc5n4)C3)cc2c1
InChIInChI=1S/C25H19N5O/c1-4-8-22-17(5-1)9-10-23(29-22)30-15-20(16-30)31-25-24(26-11-12-27-25)19-13-18-6-2-3-7-21(18)28-14-19/h1-14,20H,15-16H2
InChIKeyWSVOFUATYQQXHS-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.51
Rot. Bonds4

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

2-[3-(3-quinolin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline (PubChem CID 58548113) has the molecular formula C25H19N5O and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-[3-(3-quinolin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-(3-quinolin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
PubChem CID58548113
Molecular FormulaC25H19N5O
Molecular Weight405.46 g/mol
Exact Mass405.16
IUPAC Name2-[3-(3-quinolin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
SMILESc1ccc2ncc(-c3nccnc3OC3CN(c4ccc5ccccc5n4)C3)cc2c1
InChIInChI=1S/C25H19N5O/c1-4-8-22-17(5-1)9-10-23(29-22)30-15-20(16-30)31-25-24(26-11-12-27-25)19-13-18-6-2-3-7-21(18)28-14-19/h1-14,20H,15-16H2
InChIKeyWSVOFUATYQQXHS-UHFFFAOYSA-N
XLogP4.51
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-quinolin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline?
The IUPAC name of 2-[3-(3-quinolin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline (CID 58548113) is 2-[3-(3-quinolin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-(3-quinolin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-(3-quinolin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline is c1ccc2ncc(-c3nccnc3OC3CN(c4ccc5ccccc5n4)C3)cc2c1.
What is the InChIKey of 2-[3-(3-quinolin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline?
The InChIKey is WSVOFUATYQQXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O/c1-4-8-22-17(5-1)9-10-23(29-22)30-15-20(16-30)31-25-24(26-11-12-27-25)19-13-18-6-2-3-7-21(18)28-14-19/h1-14,20H,15-16H2.
What are the key properties of 2-[3-(3-quinolin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline?
2-[3-(3-quinolin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline has a molecular weight of 405.46 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-quinolin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline is sourced from PubChem (CID 58548113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).