6-bromo-2-(4-fluorophenyl)-4-phenylquinoline

C21H13BrFN — CID 132547244

IUPAC6-bromo-2-(4-fluorophenyl)-4-phenylquinoline
SMILESFc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C21H13BrFN/c22-16-8-11-20-19(12-16)18(14-4-2-1-3-5-14)13-21(24-20)15-6-9-17(23)10-7-15/h1-13H
InChIKeySGCNKRHHAMCTLN-UHFFFAOYSA-N
MW378.24 g/mol
LogP6.47
Rot. Bonds2

About 6-bromo-2-(4-fluorophenyl)-4-phenylquinoline

6-bromo-2-(4-fluorophenyl)-4-phenylquinoline (PubChem CID 132547244) has the molecular formula C21H13BrFN and a molecular weight of 378.24 g/mol. Its IUPAC name is 6-bromo-2-(4-fluorophenyl)-4-phenylquinoline.

Molecular Properties

Compound Name6-bromo-2-(4-fluorophenyl)-4-phenylquinoline
PubChem CID132547244
Molecular FormulaC21H13BrFN
Molecular Weight378.24 g/mol
Exact Mass377.02
IUPAC Name6-bromo-2-(4-fluorophenyl)-4-phenylquinoline
SMILESFc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C21H13BrFN/c22-16-8-11-20-19(12-16)18(14-4-2-1-3-5-14)13-21(24-20)15-6-9-17(23)10-7-15/h1-13H
InChIKeySGCNKRHHAMCTLN-UHFFFAOYSA-N
XLogP6.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.24
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-fluorophenyl)-4-phenylquinoline?
The IUPAC name of 6-bromo-2-(4-fluorophenyl)-4-phenylquinoline (CID 132547244) is 6-bromo-2-(4-fluorophenyl)-4-phenylquinoline.
What is the SMILES notation for 6-bromo-2-(4-fluorophenyl)-4-phenylquinoline?
The canonical SMILES for 6-bromo-2-(4-fluorophenyl)-4-phenylquinoline is Fc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1.
What is the InChIKey of 6-bromo-2-(4-fluorophenyl)-4-phenylquinoline?
The InChIKey is SGCNKRHHAMCTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13BrFN/c22-16-8-11-20-19(12-16)18(14-4-2-1-3-5-14)13-21(24-20)15-6-9-17(23)10-7-15/h1-13H.
What are the key properties of 6-bromo-2-(4-fluorophenyl)-4-phenylquinoline?
6-bromo-2-(4-fluorophenyl)-4-phenylquinoline has a molecular weight of 378.24 g/mol, XLogP of 6.47, 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-fluorophenyl)-4-phenylquinoline is sourced from PubChem (CID 132547244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).