6-(4-quinolin-4-ylpiperazin-1-yl)quinazoline

C₂₁H₁₉N₅ — CID 126894311

About 6-(4-quinolin-4-ylpiperazin-1-yl)quinazoline

6-(4-quinolin-4-ylpiperazin-1-yl)quinazoline (PubChem CID 126894311) has the molecular formula C₂₁H₁₉N₅ and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-(4-quinolin-4-ylpiperazin-1-yl)quinazoline.

Molecular Properties

• Compound Name: 6-(4-quinolin-4-ylpiperazin-1-yl)quinazoline
• PubChem CID: 126894311
• Molecular Formula: C₂₁H₁₉N₅
• Molecular Weight: 341.42 g/mol
• Exact Mass: 341.16
• IUPAC Name: 6-(4-quinolin-4-ylpiperazin-1-yl)quinazoline
• SMILES: c1ccc2c(N3CCN(c4ccc5ncncc5c4)CC3)ccnc2c1
• InChI: InChI=1S/C21H19N5/c1-2-4-20-18(3-1)21(7-8-23-20)26-11-9-25(10-12-26)17-5-6-19-16(13-17)14-22-15-24-19/h1-8,13-15H,9-12H2
• InChIKey: CJLZBFINZHZSSH-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 45.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.42
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(4-quinolin-4-ylpiperazin-1-yl)quinazoline?

The IUPAC name of 6-(4-quinolin-4-ylpiperazin-1-yl)quinazoline (CID 126894311) is 6-(4-quinolin-4-ylpiperazin-1-yl)quinazoline.

What is the SMILES notation for 6-(4-quinolin-4-ylpiperazin-1-yl)quinazoline?

The canonical SMILES for 6-(4-quinolin-4-ylpiperazin-1-yl)quinazoline is c1ccc2c(N3CCN(c4ccc5ncncc5c4)CC3)ccnc2c1.

What is the InChIKey of 6-(4-quinolin-4-ylpiperazin-1-yl)quinazoline?

The InChIKey is CJLZBFINZHZSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-2-4-20-18(3-1)21(7-8-23-20)26-11-9-25(10-12-26)17-5-6-19-16(13-17)14-22-15-24-19/h1-8,13-15H,9-12H2.

What are the key properties of 6-(4-quinolin-4-ylpiperazin-1-yl)quinazoline?

6-(4-quinolin-4-ylpiperazin-1-yl)quinazoline has a molecular weight of 341.42 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-quinolin-4-ylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 126894311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 126894311 — identifiers, structure, computed properties (public domain)

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