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

C23H19FN4O — CID 54670951

IUPAC2-[3-[3-(4-fluoro-2-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
SMILESCc1cc(F)ccc1-c1nccnc1OC1CN(c2ccc3ccccc3n2)C1
InChIInChI=1S/C23H19FN4O/c1-15-12-17(24)7-8-19(15)22-23(26-11-10-25-22)29-18-13-28(14-18)21-9-6-16-4-2-3-5-20(16)27-21/h2-12,18H,13-14H2,1H3
InChIKeyQYWYHCIBYUKBEA-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.41
Rot. Bonds4

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

2-[3-[3-(4-fluoro-2-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline (PubChem CID 54670951) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-[3-[3-(4-fluoro-2-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(4-fluoro-2-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
PubChem CID54670951
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name2-[3-[3-(4-fluoro-2-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
SMILESCc1cc(F)ccc1-c1nccnc1OC1CN(c2ccc3ccccc3n2)C1
InChIInChI=1S/C23H19FN4O/c1-15-12-17(24)7-8-19(15)22-23(26-11-10-25-22)29-18-13-28(14-18)21-9-6-16-4-2-3-5-20(16)27-21/h2-12,18H,13-14H2,1H3
InChIKeyQYWYHCIBYUKBEA-UHFFFAOYSA-N
XLogP4.41
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.41
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-fluoro-2-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(4-fluoro-2-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline (CID 54670951) is 2-[3-[3-(4-fluoro-2-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(4-fluoro-2-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(4-fluoro-2-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline is Cc1cc(F)ccc1-c1nccnc1OC1CN(c2ccc3ccccc3n2)C1.
What is the InChIKey of 2-[3-[3-(4-fluoro-2-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
The InChIKey is QYWYHCIBYUKBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c1-15-12-17(24)7-8-19(15)22-23(26-11-10-25-22)29-18-13-28(14-18)21-9-6-16-4-2-3-5-20(16)27-21/h2-12,18H,13-14H2,1H3.
What are the key properties of 2-[3-[3-(4-fluoro-2-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
2-[3-[3-(4-fluoro-2-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline has a molecular weight of 386.43 g/mol, XLogP of 4.41, 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-fluoro-2-methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline is sourced from PubChem (CID 54670951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).