N-(2,4-dimethylphenyl)-1-(4,6-dimethylquinolin-2-yl)methanimine

C20H20N2 — CID 139065143

IUPACN-(2,4-dimethylphenyl)-1-(4,6-dimethylquinolin-2-yl)methanimine
SMILESCc1ccc(/N=C/c2cc(C)c3cc(C)ccc3n2)c(C)c1
InChIInChI=1S/C20H20N2/c1-13-5-7-19(16(4)9-13)21-12-17-11-15(3)18-10-14(2)6-8-20(18)22-17/h5-12H,1-4H3/b21-12+
InChIKeyQKNZPXVLAFSCEQ-CIAFOILYSA-N
MW288.39 g/mol
LogP5.22
Rot. Bonds2

About N-(2,4-dimethylphenyl)-1-(4,6-dimethylquinolin-2-yl)methanimine

N-(2,4-dimethylphenyl)-1-(4,6-dimethylquinolin-2-yl)methanimine (PubChem CID 139065143) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-(4,6-dimethylquinolin-2-yl)methanimine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-(4,6-dimethylquinolin-2-yl)methanimine
PubChem CID139065143
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC NameN-(2,4-dimethylphenyl)-1-(4,6-dimethylquinolin-2-yl)methanimine
SMILESCc1ccc(/N=C/c2cc(C)c3cc(C)ccc3n2)c(C)c1
InChIInChI=1S/C20H20N2/c1-13-5-7-19(16(4)9-13)21-12-17-11-15(3)18-10-14(2)6-8-20(18)22-17/h5-12H,1-4H3/b21-12+
InChIKeyQKNZPXVLAFSCEQ-CIAFOILYSA-N
XLogP5.22
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(2,4-dimethylphenyl)-1-(4,6-dimethylquinolin-2-yl)methanimine 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 N-(2,4-dimethylphenyl)-1-(4,6-dimethylquinolin-2-yl)methanimine?
The IUPAC name of N-(2,4-dimethylphenyl)-1-(4,6-dimethylquinolin-2-yl)methanimine (CID 139065143) is N-(2,4-dimethylphenyl)-1-(4,6-dimethylquinolin-2-yl)methanimine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-(4,6-dimethylquinolin-2-yl)methanimine?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-(4,6-dimethylquinolin-2-yl)methanimine is Cc1ccc(/N=C/c2cc(C)c3cc(C)ccc3n2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-(4,6-dimethylquinolin-2-yl)methanimine?
The InChIKey is QKNZPXVLAFSCEQ-CIAFOILYSA-N. The full InChI is InChI=1S/C20H20N2/c1-13-5-7-19(16(4)9-13)21-12-17-11-15(3)18-10-14(2)6-8-20(18)22-17/h5-12H,1-4H3/b21-12+.
What are the key properties of N-(2,4-dimethylphenyl)-1-(4,6-dimethylquinolin-2-yl)methanimine?
N-(2,4-dimethylphenyl)-1-(4,6-dimethylquinolin-2-yl)methanimine has a molecular weight of 288.39 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-(4,6-dimethylquinolin-2-yl)methanimine is sourced from PubChem (CID 139065143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).