8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

C₁₆H₈BrF₂N₃O — CID 134497480

About 8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 134497480) has the molecular formula C₁₆H₈BrF₂N₃O and a molecular weight of 376.16 g/mol. Its IUPAC name is 8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

• Compound Name: 8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
• PubChem CID: 134497480
• Molecular Formula: C₁₆H₈BrF₂N₃O
• Molecular Weight: 376.16 g/mol
• Exact Mass: 374.98
• IUPAC Name: 8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
• SMILES: O=c1c2cnc3c(F)cc(Br)cc3c2[nH]n1-c1ccc(F)cc1
• InChI: InChI=1S/C16H8BrF2N3O/c17-8-5-11-14-12(7-20-15(11)13(19)6-8)16(23)22(21-14)10-3-1-9(18)2-4-10/h1-7,21H
• InChIKey: PCDBXSJGMDXSOD-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 50.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.16
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?

The IUPAC name of 8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 134497480) is 8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

What is the SMILES notation for 8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?

The canonical SMILES for 8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is O=c1c2cnc3c(F)cc(Br)cc3c2[nH]n1-c1ccc(F)cc1.

What is the InChIKey of 8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?

The InChIKey is PCDBXSJGMDXSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrF2N3O/c17-8-5-11-14-12(7-20-15(11)13(19)6-8)16(23)22(21-14)10-3-1-9(18)2-4-10/h1-7,21H.

What are the key properties of 8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?

8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 376.16 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 134497480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134497480 — identifiers, structure, computed properties (public domain)

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