2,4,8-triethyl-2-methylquinolin-6-imine

C16H22N2 — CID 171819673

IUPAC2,4,8-triethyl-2-methylquinolin-6-imine
SMILES[H]/N=C1\C=C(CC)C2=NC(C)(CC)C=C(CC)C2=C1
InChIInChI=1S/C16H22N2/c1-5-11-8-13(17)9-14-12(6-2)10-16(4,7-3)18-15(11)14/h8-10,17H,5-7H2,1-4H3/b17-13+
InChIKeyAWIHRPTZIYSHOU-GHRIWEEISA-N
MW242.37 g/mol
LogP4.24
Rot. Bonds3

About 2,4,8-triethyl-2-methylquinolin-6-imine

2,4,8-triethyl-2-methylquinolin-6-imine (PubChem CID 171819673) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2,4,8-triethyl-2-methylquinolin-6-imine.

Molecular Properties

Compound Name2,4,8-triethyl-2-methylquinolin-6-imine
PubChem CID171819673
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2,4,8-triethyl-2-methylquinolin-6-imine
SMILES[H]/N=C1\C=C(CC)C2=NC(C)(CC)C=C(CC)C2=C1
InChIInChI=1S/C16H22N2/c1-5-11-8-13(17)9-14-12(6-2)10-16(4,7-3)18-15(11)14/h8-10,17H,5-7H2,1-4H3/b17-13+
InChIKeyAWIHRPTZIYSHOU-GHRIWEEISA-N
XLogP4.24
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2,4,8-triethyl-2-methylquinolin-6-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4,8-triethyl-2-methylquinolin-6-imine?
The IUPAC name of 2,4,8-triethyl-2-methylquinolin-6-imine (CID 171819673) is 2,4,8-triethyl-2-methylquinolin-6-imine.
What is the SMILES notation for 2,4,8-triethyl-2-methylquinolin-6-imine?
The canonical SMILES for 2,4,8-triethyl-2-methylquinolin-6-imine is [H]/N=C1\C=C(CC)C2=NC(C)(CC)C=C(CC)C2=C1.
What is the InChIKey of 2,4,8-triethyl-2-methylquinolin-6-imine?
The InChIKey is AWIHRPTZIYSHOU-GHRIWEEISA-N. The full InChI is InChI=1S/C16H22N2/c1-5-11-8-13(17)9-14-12(6-2)10-16(4,7-3)18-15(11)14/h8-10,17H,5-7H2,1-4H3/b17-13+.
What are the key properties of 2,4,8-triethyl-2-methylquinolin-6-imine?
2,4,8-triethyl-2-methylquinolin-6-imine has a molecular weight of 242.37 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8-triethyl-2-methylquinolin-6-imine is sourced from PubChem (CID 171819673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).