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

Name: 8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₁₁BrFN₃O — CID 134508211

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

SMILESCc1ccc(-n2[nH]c3c(cnc4c(F)cc(Br)cc43)c2=O)cc1

InChIInChI=1S/C17H11BrFN3O/c1-9-2-4-11(5-3-9)22-17(23)13-8-20-16-12(15(13)21-22)6-10(18)7-14(16)19/h2-8,21H,1H3

InChIKeyXWCIDDVIAJEGIJ-UHFFFAOYSA-N

MW372.20 g/mol

LogP4.08

Rot. Bonds1

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

8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 134508211) has the molecular formula C₁₇H₁₁BrFN₃O and a molecular weight of 372.20 g/mol. Its IUPAC name is 8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name	8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID	134508211
Molecular Formula	C₁₇H₁₁BrFN₃O
Molecular Weight	372.20 g/mol
Exact Mass	371.01
IUPAC Name	8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILES	Cc1ccc(-n2[nH]c3c(cnc4c(F)cc(Br)cc43)c2=O)cc1
InChI	InChI=1S/C17H11BrFN3O/c1-9-2-4-11(5-3-9)22-17(23)13-8-20-16-12(15(13)21-22)6-10(18)7-14(16)19/h2-8,21H,1H3
InChIKey	XWCIDDVIAJEGIJ-UHFFFAOYSA-N
XLogP	4.08
TPSA	50.68 Å²
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	372.20
LogP ≤ 5	4.08
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-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?

The IUPAC name of 8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 134508211) is 8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

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

The canonical SMILES for 8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is Cc1ccc(-n2[nH]c3c(cnc4c(F)cc(Br)cc43)c2=O)cc1.

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

The InChIKey is XWCIDDVIAJEGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFN3O/c1-9-2-4-11(5-3-9)22-17(23)13-8-20-16-12(15(13)21-22)6-10(18)7-14(16)19/h2-8,21H,1H3.

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

8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 372.20 g/mol, XLogP of 4.08, 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-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 134508211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 134508211 — identifiers, structure, computed properties (public domain)

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