2-[3-[3-(4-ethoxy-3-fluorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline

C24H21FN4O — CID 58547036

IUPAC2-[3-[3-(4-ethoxy-3-fluorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCCOc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1F
InChIInChI=1S/C24H21FN4O/c1-2-30-21-9-7-17(13-19(21)25)23-24(27-12-11-26-23)18-14-29(15-18)22-10-8-16-5-3-4-6-20(16)28-22/h3-13,18H,2,14-15H2,1H3
InChIKeyAGOBPYWIXHHVAO-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.83
Rot. Bonds5

About 2-[3-[3-(4-ethoxy-3-fluorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline

2-[3-[3-(4-ethoxy-3-fluorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline (PubChem CID 58547036) has the molecular formula C24H21FN4O and a molecular weight of 400.46 g/mol. Its IUPAC name is 2-[3-[3-(4-ethoxy-3-fluorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(4-ethoxy-3-fluorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
PubChem CID58547036
Molecular FormulaC24H21FN4O
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC Name2-[3-[3-(4-ethoxy-3-fluorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCCOc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1F
InChIInChI=1S/C24H21FN4O/c1-2-30-21-9-7-17(13-19(21)25)23-24(27-12-11-26-23)18-14-29(15-18)22-10-8-16-5-3-4-6-20(16)28-22/h3-13,18H,2,14-15H2,1H3
InChIKeyAGOBPYWIXHHVAO-UHFFFAOYSA-N
XLogP4.83
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.83
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-ethoxy-3-fluorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(4-ethoxy-3-fluorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline (CID 58547036) is 2-[3-[3-(4-ethoxy-3-fluorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(4-ethoxy-3-fluorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(4-ethoxy-3-fluorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline is CCOc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1F.
What is the InChIKey of 2-[3-[3-(4-ethoxy-3-fluorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The InChIKey is AGOBPYWIXHHVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O/c1-2-30-21-9-7-17(13-19(21)25)23-24(27-12-11-26-23)18-14-29(15-18)22-10-8-16-5-3-4-6-20(16)28-22/h3-13,18H,2,14-15H2,1H3.
What are the key properties of 2-[3-[3-(4-ethoxy-3-fluorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
2-[3-[3-(4-ethoxy-3-fluorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline has a molecular weight of 400.46 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-ethoxy-3-fluorophenyl)pyrazin-2-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 58547036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).