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

C23H19FN4 — CID 58547064

IUPAC2-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)ccc1F
InChIInChI=1S/C23H19FN4/c1-15-12-17(6-8-19(15)24)22-23(26-11-10-25-22)18-13-28(14-18)21-9-7-16-4-2-3-5-20(16)27-21/h2-12,18H,13-14H2,1H3
InChIKeyVIWVJIBXXITBTG-UHFFFAOYSA-N
MW370.43 g/mol
LogP4.74
Rot. Bonds3

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

2-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline (PubChem CID 58547064) has the molecular formula C23H19FN4 and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
PubChem CID58547064
Molecular FormulaC23H19FN4
Molecular Weight370.43 g/mol
Exact Mass370.16
IUPAC Name2-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)ccc1F
InChIInChI=1S/C23H19FN4/c1-15-12-17(6-8-19(15)24)22-23(26-11-10-25-22)18-13-28(14-18)21-9-7-16-4-2-3-5-20(16)27-21/h2-12,18H,13-14H2,1H3
InChIKeyVIWVJIBXXITBTG-UHFFFAOYSA-N
XLogP4.74
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline (CID 58547064) is 2-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline is Cc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)ccc1F.
What is the InChIKey of 2-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The InChIKey is VIWVJIBXXITBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4/c1-15-12-17(6-8-19(15)24)22-23(26-11-10-25-22)18-13-28(14-18)21-9-7-16-4-2-3-5-20(16)27-21/h2-12,18H,13-14H2,1H3.
What are the key properties of 2-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
2-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline has a molecular weight of 370.43 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 58547064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).