2-[3-[3-(3,4-dimethylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline

C24H22N4 — CID 58546751

IUPAC2-[3-[3-(3,4-dimethylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1C
InChIInChI=1S/C24H22N4/c1-16-7-8-19(13-17(16)2)23-24(26-12-11-25-23)20-14-28(15-20)22-10-9-18-5-3-4-6-21(18)27-22/h3-13,20H,14-15H2,1-2H3
InChIKeyVWIIAPJXHVHVMV-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.91
Rot. Bonds3

About 2-[3-[3-(3,4-dimethylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline

2-[3-[3-(3,4-dimethylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline (PubChem CID 58546751) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[3-[3-(3,4-dimethylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(3,4-dimethylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
PubChem CID58546751
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC Name2-[3-[3-(3,4-dimethylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1C
InChIInChI=1S/C24H22N4/c1-16-7-8-19(13-17(16)2)23-24(26-12-11-25-23)20-14-28(15-20)22-10-9-18-5-3-4-6-21(18)27-22/h3-13,20H,14-15H2,1-2H3
InChIKeyVWIIAPJXHVHVMV-UHFFFAOYSA-N
XLogP4.91
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[3-(3,4-dimethylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3,4-dimethylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(3,4-dimethylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline (CID 58546751) is 2-[3-[3-(3,4-dimethylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(3,4-dimethylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(3,4-dimethylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline is Cc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1C.
What is the InChIKey of 2-[3-[3-(3,4-dimethylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The InChIKey is VWIIAPJXHVHVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4/c1-16-7-8-19(13-17(16)2)23-24(26-12-11-25-23)20-14-28(15-20)22-10-9-18-5-3-4-6-21(18)27-22/h3-13,20H,14-15H2,1-2H3.
What are the key properties of 2-[3-[3-(3,4-dimethylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
2-[3-[3-(3,4-dimethylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline has a molecular weight of 366.47 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3,4-dimethylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 58546751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).