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

C23H20N4 — CID 58547260

IUPAC2-[3-[3-(3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCc1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C23H20N4/c1-16-5-4-7-18(13-16)22-23(25-12-11-24-22)19-14-27(15-19)21-10-9-17-6-2-3-8-20(17)26-21/h2-13,19H,14-15H2,1H3
InChIKeyGHURNCZKBNHMLL-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.60
Rot. Bonds3

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

2-[3-[3-(3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline (PubChem CID 58547260) has the molecular formula C23H20N4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[3-[3-(3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
PubChem CID58547260
Molecular FormulaC23H20N4
Molecular Weight352.44 g/mol
Exact Mass352.17
IUPAC Name2-[3-[3-(3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCc1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C23H20N4/c1-16-5-4-7-18(13-16)22-23(25-12-11-24-22)19-14-27(15-19)21-10-9-17-6-2-3-8-20(17)26-21/h2-13,19H,14-15H2,1H3
InChIKeyGHURNCZKBNHMLL-UHFFFAOYSA-N
XLogP4.60
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline (CID 58547260) is 2-[3-[3-(3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline is Cc1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1.
What is the InChIKey of 2-[3-[3-(3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The InChIKey is GHURNCZKBNHMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4/c1-16-5-4-7-18(13-16)22-23(25-12-11-24-22)19-14-27(15-19)21-10-9-17-6-2-3-8-20(17)26-21/h2-13,19H,14-15H2,1H3.
What are the key properties of 2-[3-[3-(3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
2-[3-[3-(3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline has a molecular weight of 352.44 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 58547260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).