6-bromo-8-chloro-N-ethyl-2-(trifluoromethyl)quinolin-4-amine

C12H9BrClF3N2 — CID 63479069

IUPAC6-bromo-8-chloro-N-ethyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCNc1cc(C(F)(F)F)nc2c(Cl)cc(Br)cc12
InChIInChI=1S/C12H9BrClF3N2/c1-2-18-9-5-10(12(15,16)17)19-11-7(9)3-6(13)4-8(11)14/h3-5H,2H2,1H3,(H,18,19)
InChIKeyQAJISPBYEOPPIU-UHFFFAOYSA-N
MW353.57 g/mol
LogP5.10
Rot. Bonds2

About 6-bromo-8-chloro-N-ethyl-2-(trifluoromethyl)quinolin-4-amine

6-bromo-8-chloro-N-ethyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 63479069) has the molecular formula C12H9BrClF3N2 and a molecular weight of 353.57 g/mol. Its IUPAC name is 6-bromo-8-chloro-N-ethyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name6-bromo-8-chloro-N-ethyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID63479069
Molecular FormulaC12H9BrClF3N2
Molecular Weight353.57 g/mol
Exact Mass351.96
IUPAC Name6-bromo-8-chloro-N-ethyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCNc1cc(C(F)(F)F)nc2c(Cl)cc(Br)cc12
InChIInChI=1S/C12H9BrClF3N2/c1-2-18-9-5-10(12(15,16)17)19-11-7(9)3-6(13)4-8(11)14/h3-5H,2H2,1H3,(H,18,19)
InChIKeyQAJISPBYEOPPIU-UHFFFAOYSA-N
XLogP5.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.57
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-N-ethyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 6-bromo-8-chloro-N-ethyl-2-(trifluoromethyl)quinolin-4-amine (CID 63479069) is 6-bromo-8-chloro-N-ethyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 6-bromo-8-chloro-N-ethyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 6-bromo-8-chloro-N-ethyl-2-(trifluoromethyl)quinolin-4-amine is CCNc1cc(C(F)(F)F)nc2c(Cl)cc(Br)cc12.
What is the InChIKey of 6-bromo-8-chloro-N-ethyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is QAJISPBYEOPPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClF3N2/c1-2-18-9-5-10(12(15,16)17)19-11-7(9)3-6(13)4-8(11)14/h3-5H,2H2,1H3,(H,18,19).
What are the key properties of 6-bromo-8-chloro-N-ethyl-2-(trifluoromethyl)quinolin-4-amine?
6-bromo-8-chloro-N-ethyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 353.57 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloro-N-ethyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 63479069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).