5-bromo-8-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-amine

C11H7BrClF3N2 — CID 63744259

IUPAC5-bromo-8-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCc1c(C(F)(F)F)nc2c(Cl)ccc(Br)c2c1N
InChIInChI=1S/C11H7BrClF3N2/c1-4-8(17)7-5(12)2-3-6(13)9(7)18-10(4)11(14,15)16/h2-3H,1H3,(H2,17,18)
InChIKeyFWXZBUAUCDWJOE-UHFFFAOYSA-N
MW339.54 g/mol
LogP4.56
Rot. Bonds

About 5-bromo-8-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-amine

5-bromo-8-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 63744259) has the molecular formula C11H7BrClF3N2 and a molecular weight of 339.54 g/mol. Its IUPAC name is 5-bromo-8-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name5-bromo-8-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID63744259
Molecular FormulaC11H7BrClF3N2
Molecular Weight339.54 g/mol
Exact Mass337.94
IUPAC Name5-bromo-8-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCc1c(C(F)(F)F)nc2c(Cl)ccc(Br)c2c1N
InChIInChI=1S/C11H7BrClF3N2/c1-4-8(17)7-5(12)2-3-6(13)9(7)18-10(4)11(14,15)16/h2-3H,1H3,(H2,17,18)
InChIKeyFWXZBUAUCDWJOE-UHFFFAOYSA-N
XLogP4.56
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.54
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 5-bromo-8-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-amine (CID 63744259) is 5-bromo-8-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 5-bromo-8-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 5-bromo-8-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-amine is Cc1c(C(F)(F)F)nc2c(Cl)ccc(Br)c2c1N.
What is the InChIKey of 5-bromo-8-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is FWXZBUAUCDWJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClF3N2/c1-4-8(17)7-5(12)2-3-6(13)9(7)18-10(4)11(14,15)16/h2-3H,1H3,(H2,17,18).
What are the key properties of 5-bromo-8-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-amine?
5-bromo-8-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 339.54 g/mol, XLogP of 4.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 63744259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).