6-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-amine

C11H8BrF3N2 — CID 55045264

IUPAC6-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCc1cc(Br)cc2c(N)cc(C(F)(F)F)nc12
InChIInChI=1S/C11H8BrF3N2/c1-5-2-6(12)3-7-8(16)4-9(11(13,14)15)17-10(5)7/h2-4H,1H3,(H2,16,17)
InChIKeyIVTRLOGIPXSDFG-UHFFFAOYSA-N
MW305.10 g/mol
LogP3.91
Rot. Bonds

About 6-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-amine

6-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 55045264) has the molecular formula C11H8BrF3N2 and a molecular weight of 305.10 g/mol. Its IUPAC name is 6-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name6-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID55045264
Molecular FormulaC11H8BrF3N2
Molecular Weight305.10 g/mol
Exact Mass303.98
IUPAC Name6-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCc1cc(Br)cc2c(N)cc(C(F)(F)F)nc12
InChIInChI=1S/C11H8BrF3N2/c1-5-2-6(12)3-7-8(16)4-9(11(13,14)15)17-10(5)7/h2-4H,1H3,(H2,16,17)
InChIKeyIVTRLOGIPXSDFG-UHFFFAOYSA-N
XLogP3.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.10
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 6-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-amine (CID 55045264) is 6-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 6-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 6-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-amine is Cc1cc(Br)cc2c(N)cc(C(F)(F)F)nc12.
What is the InChIKey of 6-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is IVTRLOGIPXSDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2/c1-5-2-6(12)3-7-8(16)4-9(11(13,14)15)17-10(5)7/h2-4H,1H3,(H2,16,17).
What are the key properties of 6-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-amine?
6-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 305.10 g/mol, XLogP of 3.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 55045264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).