2-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline

C22H19N5O — CID 54670489

IUPAC2-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
SMILESCc1cc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)ccn1
InChIInChI=1S/C22H19N5O/c1-15-12-17(8-9-23-15)21-22(25-11-10-24-21)28-18-13-27(14-18)20-7-6-16-4-2-3-5-19(16)26-20/h2-12,18H,13-14H2,1H3
InChIKeyXKOPXTBCWHMNPP-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.66
Rot. Bonds4

About 2-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline

2-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline (PubChem CID 54670489) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
PubChem CID54670489
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name2-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
SMILESCc1cc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)ccn1
InChIInChI=1S/C22H19N5O/c1-15-12-17(8-9-23-15)21-22(25-11-10-24-21)28-18-13-27(14-18)20-7-6-16-4-2-3-5-19(16)26-20/h2-12,18H,13-14H2,1H3
InChIKeyXKOPXTBCWHMNPP-UHFFFAOYSA-N
XLogP3.66
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(3-{[1-(Quinolin-2-Yl)azetidin-3-Yl]oxy}quinoxalin-2-Yl)piperidin-1-Yl]ethanone
CID 58547814
[1-(3-{[1-(Quinolin-2-Yl)azetidin-3-Yl]oxy}pyrazin-2-Yl)piperidin-4-Yl]methanol
CID 58547833
[1-[6-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol
CID 58547807
3-(Phenylethynyl)-2-(2-(pyridin-2-yl)ethoxy)pyrido(3,2-b)pyrazine
CID 53494897
1-[4-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone
CID 54670110
1-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carbonitrile
CID 54670394
6-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]quinazolin-2-amine
CID 54670399
2-[3-(3-Pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
CID 54670488
2-[3-[3-(1-Methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 54671050
N-methyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]benzamide
CID 54671051
1-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carboxamide
CID 58547692
2-[3-(3-Pyridin-4-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
CID 58547740

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline (CID 54670489) is 2-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline is Cc1cc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)ccn1.
What is the InChIKey of 2-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
The InChIKey is XKOPXTBCWHMNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-15-12-17(8-9-23-15)21-22(25-11-10-24-21)28-18-13-27(14-18)20-7-6-16-4-2-3-5-19(16)26-20/h2-12,18H,13-14H2,1H3.
What are the key properties of 2-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
2-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline has a molecular weight of 369.43 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline is sourced from PubChem (CID 54670489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).