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

C23H19ClN4 — CID 58547165

IUPAC2-[3-[3-(3-chloro-4-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1Cl
InChIInChI=1S/C23H19ClN4/c1-15-6-7-17(12-19(15)24)22-23(26-11-10-25-22)18-13-28(14-18)21-9-8-16-4-2-3-5-20(16)27-21/h2-12,18H,13-14H2,1H3
InChIKeyIJUYGRAUQYGJGL-UHFFFAOYSA-N
MW386.89 g/mol
LogP5.26
Rot. Bonds3

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

2-[3-[3-(3-chloro-4-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline (PubChem CID 58547165) has the molecular formula C23H19ClN4 and a molecular weight of 386.89 g/mol. Its IUPAC name is 2-[3-[3-(3-chloro-4-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(3-chloro-4-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
PubChem CID58547165
Molecular FormulaC23H19ClN4
Molecular Weight386.89 g/mol
Exact Mass386.13
IUPAC Name2-[3-[3-(3-chloro-4-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1Cl
InChIInChI=1S/C23H19ClN4/c1-15-6-7-17(12-19(15)24)22-23(26-11-10-25-22)18-13-28(14-18)21-9-8-16-4-2-3-5-20(16)27-21/h2-12,18H,13-14H2,1H3
InChIKeyIJUYGRAUQYGJGL-UHFFFAOYSA-N
XLogP5.26
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.89
LogP ≤ 55.26
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-chloro-4-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(3-chloro-4-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline (CID 58547165) is 2-[3-[3-(3-chloro-4-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(3-chloro-4-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(3-chloro-4-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline is Cc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1Cl.
What is the InChIKey of 2-[3-[3-(3-chloro-4-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The InChIKey is IJUYGRAUQYGJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4/c1-15-6-7-17(12-19(15)24)22-23(26-11-10-25-22)18-13-28(14-18)21-9-8-16-4-2-3-5-20(16)27-21/h2-12,18H,13-14H2,1H3.
What are the key properties of 2-[3-[3-(3-chloro-4-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
2-[3-[3-(3-chloro-4-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline has a molecular weight of 386.89 g/mol, XLogP of 5.26, 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-chloro-4-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 58547165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).