2-[3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]quinoline

C₂₀H₁₂ClN₅ — CID 71482681

About 2-[3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]quinoline

2-[3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]quinoline (PubChem CID 71482681) has the molecular formula C₂₀H₁₂ClN₅ and a molecular weight of 357.80 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]quinoline.

Molecular Properties

• Compound Name: 2-[3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]quinoline
• PubChem CID: 71482681
• Molecular Formula: C₂₀H₁₂ClN₅
• Molecular Weight: 357.80 g/mol
• Exact Mass: 357.08
• IUPAC Name: 2-[3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]quinoline
• SMILES: Clc1ccc(-c2nn(-c3ccc4ccccc4n3)c3ncncc23)cc1
• InChI: InChI=1S/C20H12ClN5/c21-15-8-5-14(6-9-15)19-16-11-22-12-23-20(16)26(25-19)18-10-7-13-3-1-2-4-17(13)24-18/h1-12H
• InChIKey: OOQKRYAUZWXDBW-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.80
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]quinoline?

The IUPAC name of 2-[3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]quinoline (CID 71482681) is 2-[3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]quinoline.

What is the SMILES notation for 2-[3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]quinoline?

The canonical SMILES for 2-[3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]quinoline is Clc1ccc(-c2nn(-c3ccc4ccccc4n3)c3ncncc23)cc1.

What is the InChIKey of 2-[3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]quinoline?

The InChIKey is OOQKRYAUZWXDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClN5/c21-15-8-5-14(6-9-15)19-16-11-22-12-23-20(16)26(25-19)18-10-7-13-3-1-2-4-17(13)24-18/h1-12H.

What are the key properties of 2-[3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]quinoline?

2-[3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]quinoline has a molecular weight of 357.80 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]quinoline is sourced from PubChem (CID 71482681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71482681 — identifiers, structure, computed properties (public domain)

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