(3R)-6-bromo-3-(4-phenylphenyl)-3-(trifluoromethyl)-4H-quinoline

C22H15BrF3N — CID 172643146

IUPAC(3R)-6-bromo-3-(4-phenylphenyl)-3-(trifluoromethyl)-4H-quinoline
SMILESFC(F)(F)[C@]1(c2ccc(-c3ccccc3)cc2)C=Nc2ccc(Br)cc2C1
InChIInChI=1S/C22H15BrF3N/c23-19-10-11-20-17(12-19)13-21(14-27-20,22(24,25)26)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-12,14H,13H2/t21-/m0/s1
InChIKeyIMMFZOKRHDBQPY-NRFANRHFSA-N
MW430.27 g/mol
LogP6.87
Rot. Bonds2

About (3R)-6-bromo-3-(4-phenylphenyl)-3-(trifluoromethyl)-4H-quinoline

(3R)-6-bromo-3-(4-phenylphenyl)-3-(trifluoromethyl)-4H-quinoline (PubChem CID 172643146) has the molecular formula C22H15BrF3N and a molecular weight of 430.27 g/mol. Its IUPAC name is (3R)-6-bromo-3-(4-phenylphenyl)-3-(trifluoromethyl)-4H-quinoline.

Molecular Properties

Compound Name(3R)-6-bromo-3-(4-phenylphenyl)-3-(trifluoromethyl)-4H-quinoline
PubChem CID172643146
Molecular FormulaC22H15BrF3N
Molecular Weight430.27 g/mol
Exact Mass429.03
IUPAC Name(3R)-6-bromo-3-(4-phenylphenyl)-3-(trifluoromethyl)-4H-quinoline
SMILESFC(F)(F)[C@]1(c2ccc(-c3ccccc3)cc2)C=Nc2ccc(Br)cc2C1
InChIInChI=1S/C22H15BrF3N/c23-19-10-11-20-17(12-19)13-21(14-27-20,22(24,25)26)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-12,14H,13H2/t21-/m0/s1
InChIKeyIMMFZOKRHDBQPY-NRFANRHFSA-N
XLogP6.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.27
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-bromo-3-(4-phenylphenyl)-3-(trifluoromethyl)-4H-quinoline?
The IUPAC name of (3R)-6-bromo-3-(4-phenylphenyl)-3-(trifluoromethyl)-4H-quinoline (CID 172643146) is (3R)-6-bromo-3-(4-phenylphenyl)-3-(trifluoromethyl)-4H-quinoline.
What is the SMILES notation for (3R)-6-bromo-3-(4-phenylphenyl)-3-(trifluoromethyl)-4H-quinoline?
The canonical SMILES for (3R)-6-bromo-3-(4-phenylphenyl)-3-(trifluoromethyl)-4H-quinoline is FC(F)(F)[C@]1(c2ccc(-c3ccccc3)cc2)C=Nc2ccc(Br)cc2C1.
What is the InChIKey of (3R)-6-bromo-3-(4-phenylphenyl)-3-(trifluoromethyl)-4H-quinoline?
The InChIKey is IMMFZOKRHDBQPY-NRFANRHFSA-N. The full InChI is InChI=1S/C22H15BrF3N/c23-19-10-11-20-17(12-19)13-21(14-27-20,22(24,25)26)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-12,14H,13H2/t21-/m0/s1.
What are the key properties of (3R)-6-bromo-3-(4-phenylphenyl)-3-(trifluoromethyl)-4H-quinoline?
(3R)-6-bromo-3-(4-phenylphenyl)-3-(trifluoromethyl)-4H-quinoline has a molecular weight of 430.27 g/mol, XLogP of 6.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-bromo-3-(4-phenylphenyl)-3-(trifluoromethyl)-4H-quinoline is sourced from PubChem (CID 172643146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).