5-bromo-8-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine

C14H14BrF3N2 — CID 63479785

IUPAC5-bromo-8-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCCNc1cc(C(F)(F)F)nc2c(C)ccc(Br)c12
InChIInChI=1S/C14H14BrF3N2/c1-3-6-19-10-7-11(14(16,17)18)20-13-8(2)4-5-9(15)12(10)13/h4-5,7H,3,6H2,1-2H3,(H,19,20)
InChIKeyINUPQCZVCQPEKR-UHFFFAOYSA-N
MW347.18 g/mol
LogP5.15
Rot. Bonds3

About 5-bromo-8-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine

5-bromo-8-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 63479785) has the molecular formula C14H14BrF3N2 and a molecular weight of 347.18 g/mol. Its IUPAC name is 5-bromo-8-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name5-bromo-8-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID63479785
Molecular FormulaC14H14BrF3N2
Molecular Weight347.18 g/mol
Exact Mass346.03
IUPAC Name5-bromo-8-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCCCNc1cc(C(F)(F)F)nc2c(C)ccc(Br)c12
InChIInChI=1S/C14H14BrF3N2/c1-3-6-19-10-7-11(14(16,17)18)20-13-8(2)4-5-9(15)12(10)13/h4-5,7H,3,6H2,1-2H3,(H,19,20)
InChIKeyINUPQCZVCQPEKR-UHFFFAOYSA-N
XLogP5.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.18
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-8-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-bromo-N-ethyl-5-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 82758076
5-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine
CID 55194440
5,8-dichloro-6-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 104728229
5-bromo-2-tert-butyl-6-fluoro-8-methyl-N-propylquinolin-4-amine
CID 107593976
2,5,8-trimethyl-N-propylquinolin-4-amine
CID 63480948
8-iodo-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 55194221
5-bromo-2-(difluoromethyl)-N-ethyl-8-methylquinolin-4-amine
CID 62891074
5-bromo-2-tert-butyl-N-ethyl-8-fluoroquinolin-4-amine
CID 63479847
N-propyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-amine
CID 66354977
5-bromo-8-fluoro-2-propan-2-yl-N-propylquinolin-4-amine
CID 63480185
8-bromo-4-chloro-5-methyl-2-(trifluoromethyl)quinoline
CID 82766340
[5-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 62250423

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 5-bromo-8-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine (CID 63479785) is 5-bromo-8-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 5-bromo-8-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 5-bromo-8-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine is CCCNc1cc(C(F)(F)F)nc2c(C)ccc(Br)c12.
What is the InChIKey of 5-bromo-8-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is INUPQCZVCQPEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF3N2/c1-3-6-19-10-7-11(14(16,17)18)20-13-8(2)4-5-9(15)12(10)13/h4-5,7H,3,6H2,1-2H3,(H,19,20).
What are the key properties of 5-bromo-8-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine?
5-bromo-8-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 347.18 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 63479785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).