6-bromo-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline

C18H13BrF3N — CID 151993760

IUPAC6-bromo-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline
SMILESCc1nc2ccc(Br)cc2cc1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H13BrF3N/c1-11-13(9-14-10-16(19)6-7-17(14)23-11)8-12-2-4-15(5-3-12)18(20,21)22/h2-7,9-10H,8H2,1H3
InChIKeyUFFVEVJQFZDSEP-UHFFFAOYSA-N
MW380.21 g/mol
LogP5.92
Rot. Bonds2

About 6-bromo-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline

6-bromo-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline (PubChem CID 151993760) has the molecular formula C18H13BrF3N and a molecular weight of 380.21 g/mol. Its IUPAC name is 6-bromo-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline.

Molecular Properties

Compound Name6-bromo-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline
PubChem CID151993760
Molecular FormulaC18H13BrF3N
Molecular Weight380.21 g/mol
Exact Mass379.02
IUPAC Name6-bromo-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline
SMILESCc1nc2ccc(Br)cc2cc1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H13BrF3N/c1-11-13(9-14-10-16(19)6-7-17(14)23-11)8-12-2-4-15(5-3-12)18(20,21)22/h2-7,9-10H,8H2,1H3
InChIKeyUFFVEVJQFZDSEP-UHFFFAOYSA-N
XLogP5.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.21
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-bromo-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]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 6-bromo-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline?
The IUPAC name of 6-bromo-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline (CID 151993760) is 6-bromo-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline.
What is the SMILES notation for 6-bromo-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline?
The canonical SMILES for 6-bromo-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline is Cc1nc2ccc(Br)cc2cc1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-bromo-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline?
The InChIKey is UFFVEVJQFZDSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrF3N/c1-11-13(9-14-10-16(19)6-7-17(14)23-11)8-12-2-4-15(5-3-12)18(20,21)22/h2-7,9-10H,8H2,1H3.
What are the key properties of 6-bromo-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline?
6-bromo-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline has a molecular weight of 380.21 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline is sourced from PubChem (CID 151993760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).