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

C23H19FN4O — CID 54675581

IUPAC2-[3-[3-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCOc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)ccc1F
InChIInChI=1S/C23H19FN4O/c1-29-20-12-16(6-8-18(20)24)22-23(26-11-10-25-22)17-13-28(14-17)21-9-7-15-4-2-3-5-19(15)27-21/h2-12,17H,13-14H2,1H3
InChIKeyMZBWYMMFJRWVPL-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.44
Rot. Bonds4

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

2-[3-[3-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline (PubChem CID 54675581) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-[3-[3-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
PubChem CID54675581
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name2-[3-[3-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCOc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)ccc1F
InChIInChI=1S/C23H19FN4O/c1-29-20-12-16(6-8-18(20)24)22-23(26-11-10-25-22)17-13-28(14-17)21-9-7-15-4-2-3-5-19(15)27-21/h2-12,17H,13-14H2,1H3
InChIKeyMZBWYMMFJRWVPL-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
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-3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline (CID 54675581) is 2-[3-[3-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline is COc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)ccc1F.
What is the InChIKey of 2-[3-[3-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The InChIKey is MZBWYMMFJRWVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c1-29-20-12-16(6-8-18(20)24)22-23(26-11-10-25-22)17-13-28(14-17)21-9-7-15-4-2-3-5-19(15)27-21/h2-12,17H,13-14H2,1H3.
What are the key properties of 2-[3-[3-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
2-[3-[3-(4-fluoro-3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline has a molecular weight of 386.43 g/mol, XLogP of 4.44, 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-3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 54675581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).