3-ethyl-1-methyl-2-propylquinolin-4-imine

C15H20N2 — CID 659146

IUPAC3-ethyl-1-methyl-2-propylquinolin-4-imine
SMILES[H]/N=c1\c(CC)c(CCC)n(C)c2ccccc12
InChIInChI=1S/C15H20N2/c1-4-8-13-11(5-2)15(16)12-9-6-7-10-14(12)17(13)3/h6-7,9-10,16H,4-5,8H2,1-3H3/b16-15+
InChIKeyJAPBALWUJAIERZ-FOCLMDBBSA-N
MW228.34 g/mol
LogP3.17
Rot. Bonds3

About 3-ethyl-1-methyl-2-propylquinolin-4-imine

3-ethyl-1-methyl-2-propylquinolin-4-imine (PubChem CID 659146) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-ethyl-1-methyl-2-propylquinolin-4-imine.

Molecular Properties

Compound Name3-ethyl-1-methyl-2-propylquinolin-4-imine
PubChem CID659146
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-ethyl-1-methyl-2-propylquinolin-4-imine
SMILES[H]/N=c1\c(CC)c(CCC)n(C)c2ccccc12
InChIInChI=1S/C15H20N2/c1-4-8-13-11(5-2)15(16)12-9-6-7-10-14(12)17(13)3/h6-7,9-10,16H,4-5,8H2,1-3H3/b16-15+
InChIKeyJAPBALWUJAIERZ-FOCLMDBBSA-N
XLogP3.17
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-2-propylquinolin-4-imine?
The IUPAC name of 3-ethyl-1-methyl-2-propylquinolin-4-imine (CID 659146) is 3-ethyl-1-methyl-2-propylquinolin-4-imine.
What is the SMILES notation for 3-ethyl-1-methyl-2-propylquinolin-4-imine?
The canonical SMILES for 3-ethyl-1-methyl-2-propylquinolin-4-imine is [H]/N=c1\c(CC)c(CCC)n(C)c2ccccc12.
What is the InChIKey of 3-ethyl-1-methyl-2-propylquinolin-4-imine?
The InChIKey is JAPBALWUJAIERZ-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H20N2/c1-4-8-13-11(5-2)15(16)12-9-6-7-10-14(12)17(13)3/h6-7,9-10,16H,4-5,8H2,1-3H3/b16-15+.
What are the key properties of 3-ethyl-1-methyl-2-propylquinolin-4-imine?
3-ethyl-1-methyl-2-propylquinolin-4-imine has a molecular weight of 228.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-2-propylquinolin-4-imine is sourced from PubChem (CID 659146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).