6-bromo-8-ethyl-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine

C14H14BrF3N2 — CID 81289179

IUPAC6-bromo-8-ethyl-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCc1cc(Br)cc2c(NC)c(C)c(C(F)(F)F)nc12
InChIInChI=1S/C14H14BrF3N2/c1-4-8-5-9(15)6-10-11(19-3)7(2)13(14(16,17)18)20-12(8)10/h5-6H,4H2,1-3H3,(H,19,20)
InChIKeyPGRQXLOFAASCPJ-UHFFFAOYSA-N
MW347.18 g/mol
LogP4.93
Rot. Bonds2

About 6-bromo-8-ethyl-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine

6-bromo-8-ethyl-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 81289179) has the molecular formula C14H14BrF3N2 and a molecular weight of 347.18 g/mol. Its IUPAC name is 6-bromo-8-ethyl-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name6-bromo-8-ethyl-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID81289179
Molecular FormulaC14H14BrF3N2
Molecular Weight347.18 g/mol
Exact Mass346.03
IUPAC Name6-bromo-8-ethyl-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCc1cc(Br)cc2c(NC)c(C)c(C(F)(F)F)nc12
InChIInChI=1S/C14H14BrF3N2/c1-4-8-5-9(15)6-10-11(19-3)7(2)13(14(16,17)18)20-12(8)10/h5-6H,4H2,1-3H3,(H,19,20)
InChIKeyPGRQXLOFAASCPJ-UHFFFAOYSA-N
XLogP4.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-ethyl-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 6-bromo-8-ethyl-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine (CID 81289179) is 6-bromo-8-ethyl-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 6-bromo-8-ethyl-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 6-bromo-8-ethyl-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine is CCc1cc(Br)cc2c(NC)c(C)c(C(F)(F)F)nc12.
What is the InChIKey of 6-bromo-8-ethyl-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is PGRQXLOFAASCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF3N2/c1-4-8-5-9(15)6-10-11(19-3)7(2)13(14(16,17)18)20-12(8)10/h5-6H,4H2,1-3H3,(H,19,20).
What are the key properties of 6-bromo-8-ethyl-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
6-bromo-8-ethyl-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 347.18 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-ethyl-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 81289179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).