1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline

C₂₄H₁₇ClFN₃ — CID 20852483

About 1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline

1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline (PubChem CID 20852483) has the molecular formula C₂₄H₁₇ClFN₃ and a molecular weight of 401.87 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline.

Molecular Properties

• Compound Name: 1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline
• PubChem CID: 20852483
• Molecular Formula: C₂₄H₁₇ClFN₃
• Molecular Weight: 401.87 g/mol
• Exact Mass: 401.11
• IUPAC Name: 1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline
• SMILES: CCc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(F)c(Cl)c4)c3c2c1
• InChI: InChI=1S/C24H17ClFN3/c1-2-15-8-11-22-18(12-15)24-19(14-27-22)23(16-6-4-3-5-7-16)28-29(24)17-9-10-21(26)20(25)13-17/h3-14H,2H2,1H3
• InChIKey: BNMGALLCUAHGJC-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 1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline?

The IUPAC name of 1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline (CID 20852483) is 1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline.

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

The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline is CCc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(F)c(Cl)c4)c3c2c1.

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

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

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

1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[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 1-(3-chloro-4-fluorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 20852483 — identifiers, structure, computed properties (public domain)

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