3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline

C₂₄H₁₇ClFN₃ — CID 20852887

About 3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline

3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline (PubChem CID 20852887) has the molecular formula C₂₄H₁₇ClFN₃ and a molecular weight of 401.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
• PubChem CID: 20852887
• Molecular Formula: C₂₄H₁₇ClFN₃
• Molecular Weight: 401.87 g/mol
• Exact Mass: 401.11
• IUPAC Name: 3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
• SMILES: CCc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccc(F)cc4)c3c2c1
• InChI: InChI=1S/C24H17ClFN3/c1-2-15-3-12-22-20(13-15)24-21(14-27-22)23(16-4-6-17(25)7-5-16)28-29(24)19-10-8-18(26)9-11-19/h3-14H,2H2,1H3
• InChIKey: JJHLGWXGIABNGO-UHFFFAOYSA-N
• XLogP: 6.60
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	401.87
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?

The IUPAC name of 3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline (CID 20852887) is 3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline.

What is the SMILES notation for 3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?

The canonical SMILES for 3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline is CCc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccc(F)cc4)c3c2c1.

What is the InChIKey of 3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?

The InChIKey is JJHLGWXGIABNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN3/c1-2-15-3-12-22-20(13-15)24-21(14-27-22)23(16-4-6-17(25)7-5-16)28-29(24)19-10-8-18(26)9-11-19/h3-14H,2H2,1H3.

What are the key properties of 3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?

3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 401.87 g/mol, XLogP of 6.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-8-ethyl-1-(4-fluorophenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 20852887 — identifiers, structure, computed properties (public domain)

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