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

C23H20N4O2 — CID 58547950

IUPAC2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
SMILESCOc1cccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C23H20N4O2/c1-28-18-7-4-6-17(13-18)22-23(25-12-11-24-22)29-19-14-27(15-19)21-10-9-16-5-2-3-8-20(16)26-21/h2-13,19H,14-15H2,1H3
InChIKeyPPMCBYVGKNPYDP-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.97
Rot. Bonds5

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

2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline (PubChem CID 58547950) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
PubChem CID58547950
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
SMILESCOc1cccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C23H20N4O2/c1-28-18-7-4-6-17(13-18)22-23(25-12-11-24-22)29-19-14-27(15-19)21-10-9-16-5-2-3-8-20(16)26-21/h2-13,19H,14-15H2,1H3
InChIKeyPPMCBYVGKNPYDP-UHFFFAOYSA-N
XLogP3.97
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline (CID 58547950) is 2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline is COc1cccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)c1.
What is the InChIKey of 2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
The InChIKey is PPMCBYVGKNPYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-28-18-7-4-6-17(13-18)22-23(25-12-11-24-22)29-19-14-27(15-19)21-10-9-16-5-2-3-8-20(16)26-21/h2-13,19H,14-15H2,1H3.
What are the key properties of 2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline has a molecular weight of 384.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline is sourced from PubChem (CID 58547950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).