6-bromo-2,4-diphenylquinoline

C21H14BrN — CID 632251

IUPAC6-bromo-2,4-diphenylquinoline
SMILESBrc1ccc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C21H14BrN/c22-17-11-12-20-19(13-17)18(15-7-3-1-4-8-15)14-21(23-20)16-9-5-2-6-10-16/h1-14H
InChIKeyVUQCHOGXZNSPHL-UHFFFAOYSA-N
MW360.25 g/mol
LogP6.33
Rot. Bonds2

About 6-bromo-2,4-diphenylquinoline

6-bromo-2,4-diphenylquinoline (PubChem CID 632251) has the molecular formula C21H14BrN and a molecular weight of 360.25 g/mol. Its IUPAC name is 6-bromo-2,4-diphenylquinoline.

Molecular Properties

Compound Name6-bromo-2,4-diphenylquinoline
PubChem CID632251
Molecular FormulaC21H14BrN
Molecular Weight360.25 g/mol
Exact Mass359.03
IUPAC Name6-bromo-2,4-diphenylquinoline
SMILESBrc1ccc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C21H14BrN/c22-17-11-12-20-19(13-17)18(15-7-3-1-4-8-15)14-21(23-20)16-9-5-2-6-10-16/h1-14H
InChIKeyVUQCHOGXZNSPHL-UHFFFAOYSA-N
XLogP6.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.25
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-bromo-2,4-diphenylquinoline 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 6-bromo-2,4-diphenylquinoline?
The IUPAC name of 6-bromo-2,4-diphenylquinoline (CID 632251) is 6-bromo-2,4-diphenylquinoline.
What is the SMILES notation for 6-bromo-2,4-diphenylquinoline?
The canonical SMILES for 6-bromo-2,4-diphenylquinoline is Brc1ccc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1.
What is the InChIKey of 6-bromo-2,4-diphenylquinoline?
The InChIKey is VUQCHOGXZNSPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrN/c22-17-11-12-20-19(13-17)18(15-7-3-1-4-8-15)14-21(23-20)16-9-5-2-6-10-16/h1-14H.
What are the key properties of 6-bromo-2,4-diphenylquinoline?
6-bromo-2,4-diphenylquinoline has a molecular weight of 360.25 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,4-diphenylquinoline is sourced from PubChem (CID 632251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).