6-bromo-2-ethyl-N,3,8-trimethylquinolin-4-amine

C14H17BrN2 — CID 63562058

IUPAC6-bromo-2-ethyl-N,3,8-trimethylquinolin-4-amine
SMILESCCc1nc2c(C)cc(Br)cc2c(NC)c1C
InChIInChI=1S/C14H17BrN2/c1-5-12-9(3)14(16-4)11-7-10(15)6-8(2)13(11)17-12/h6-7H,5H2,1-4H3,(H,16,17)
InChIKeyZLMASRVZWFPYHJ-UHFFFAOYSA-N
MW293.21 g/mol
LogP4.22
Rot. Bonds2

About 6-bromo-2-ethyl-N,3,8-trimethylquinolin-4-amine

6-bromo-2-ethyl-N,3,8-trimethylquinolin-4-amine (PubChem CID 63562058) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 6-bromo-2-ethyl-N,3,8-trimethylquinolin-4-amine.

Molecular Properties

Compound Name6-bromo-2-ethyl-N,3,8-trimethylquinolin-4-amine
PubChem CID63562058
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name6-bromo-2-ethyl-N,3,8-trimethylquinolin-4-amine
SMILESCCc1nc2c(C)cc(Br)cc2c(NC)c1C
InChIInChI=1S/C14H17BrN2/c1-5-12-9(3)14(16-4)11-7-10(15)6-8(2)13(11)17-12/h6-7H,5H2,1-4H3,(H,16,17)
InChIKeyZLMASRVZWFPYHJ-UHFFFAOYSA-N
XLogP4.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-N,3,8-trimethylquinolin-4-amine?
The IUPAC name of 6-bromo-2-ethyl-N,3,8-trimethylquinolin-4-amine (CID 63562058) is 6-bromo-2-ethyl-N,3,8-trimethylquinolin-4-amine.
What is the SMILES notation for 6-bromo-2-ethyl-N,3,8-trimethylquinolin-4-amine?
The canonical SMILES for 6-bromo-2-ethyl-N,3,8-trimethylquinolin-4-amine is CCc1nc2c(C)cc(Br)cc2c(NC)c1C.
What is the InChIKey of 6-bromo-2-ethyl-N,3,8-trimethylquinolin-4-amine?
The InChIKey is ZLMASRVZWFPYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-5-12-9(3)14(16-4)11-7-10(15)6-8(2)13(11)17-12/h6-7H,5H2,1-4H3,(H,16,17).
What are the key properties of 6-bromo-2-ethyl-N,3,8-trimethylquinolin-4-amine?
6-bromo-2-ethyl-N,3,8-trimethylquinolin-4-amine has a molecular weight of 293.21 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethyl-N,3,8-trimethylquinolin-4-amine is sourced from PubChem (CID 63562058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).