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

C23H20N4O — CID 58548001

IUPAC2-[3-[3-(4-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
SMILESCc1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C23H20N4O/c1-16-6-8-18(9-7-16)22-23(25-13-12-24-22)28-19-14-27(15-19)21-11-10-17-4-2-3-5-20(17)26-21/h2-13,19H,14-15H2,1H3
InChIKeyXOYVIOVWXJPHKK-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.27
Rot. Bonds4

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

2-[3-[3-(4-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline (PubChem CID 58548001) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[3-[3-(4-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(4-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
PubChem CID58548001
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name2-[3-[3-(4-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
SMILESCc1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C23H20N4O/c1-16-6-8-18(9-7-16)22-23(25-13-12-24-22)28-19-14-27(15-19)21-11-10-17-4-2-3-5-20(17)26-21/h2-13,19H,14-15H2,1H3
InChIKeyXOYVIOVWXJPHKK-UHFFFAOYSA-N
XLogP4.27
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(4-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline (CID 58548001) is 2-[3-[3-(4-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(4-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(4-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline is Cc1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cc1.
What is the InChIKey of 2-[3-[3-(4-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
The InChIKey is XOYVIOVWXJPHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-16-6-8-18(9-7-16)22-23(25-13-12-24-22)28-19-14-27(15-19)21-11-10-17-4-2-3-5-20(17)26-21/h2-13,19H,14-15H2,1H3.
What are the key properties of 2-[3-[3-(4-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
2-[3-[3-(4-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline has a molecular weight of 368.44 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline is sourced from PubChem (CID 58548001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).