3-(3-bromophenyl)-6-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline

C22H12BrFN4O2 — CID 46251473

IUPAC3-(3-bromophenyl)-6-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
SMILESO=[N+]([O-])c1cccc(-n2nc(-c3cccc(Br)c3)c3cnc4c(F)cccc4c32)c1
InChIInChI=1S/C22H12BrFN4O2/c23-14-5-1-4-13(10-14)20-18-12-25-21-17(8-3-9-19(21)24)22(18)27(26-20)15-6-2-7-16(11-15)28(29)30/h1-12H
InChIKeyFNKBPYPPIJUPRN-UHFFFAOYSA-N
MW463.27 g/mol
LogP6.05
Rot. Bonds3

About 3-(3-bromophenyl)-6-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline

3-(3-bromophenyl)-6-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline (PubChem CID 46251473) has the molecular formula C22H12BrFN4O2 and a molecular weight of 463.27 g/mol. Its IUPAC name is 3-(3-bromophenyl)-6-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(3-bromophenyl)-6-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
PubChem CID46251473
Molecular FormulaC22H12BrFN4O2
Molecular Weight463.27 g/mol
Exact Mass462.01
IUPAC Name3-(3-bromophenyl)-6-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
SMILESO=[N+]([O-])c1cccc(-n2nc(-c3cccc(Br)c3)c3cnc4c(F)cccc4c32)c1
InChIInChI=1S/C22H12BrFN4O2/c23-14-5-1-4-13(10-14)20-18-12-25-21-17(8-3-9-19(21)24)22(18)27(26-20)15-6-2-7-16(11-15)28(29)30/h1-12H
InChIKeyFNKBPYPPIJUPRN-UHFFFAOYSA-N
XLogP6.05
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.27
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(3-bromophenyl)-6-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-6-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(3-bromophenyl)-6-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline (CID 46251473) is 3-(3-bromophenyl)-6-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(3-bromophenyl)-6-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(3-bromophenyl)-6-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline is O=[N+]([O-])c1cccc(-n2nc(-c3cccc(Br)c3)c3cnc4c(F)cccc4c32)c1.
What is the InChIKey of 3-(3-bromophenyl)-6-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is FNKBPYPPIJUPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12BrFN4O2/c23-14-5-1-4-13(10-14)20-18-12-25-21-17(8-3-9-19(21)24)22(18)27(26-20)15-6-2-7-16(11-15)28(29)30/h1-12H.
What are the key properties of 3-(3-bromophenyl)-6-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline?
3-(3-bromophenyl)-6-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 463.27 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-6-fluoro-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 46251473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).