(E)-N-[2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]propan-1-imine

C21H19N3 — CID 15462580

IUPAC(E)-N-[2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]propan-1-imine
SMILESCC/C=N/c1c(-c2ccccc2C)nc2c3ccccc3ccn12
InChIInChI=1S/C21H19N3/c1-3-13-22-21-19(17-10-6-4-8-15(17)2)23-20-18-11-7-5-9-16(18)12-14-24(20)21/h4-14H,3H2,1-2H3/b22-13+
InChIKeySTLRJFMHYBLEBC-LPYMAVHISA-N
MW313.40 g/mol
LogP5.58
Rot. Bonds3

About (E)-N-[2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]propan-1-imine

(E)-N-[2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]propan-1-imine (PubChem CID 15462580) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (E)-N-[2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]propan-1-imine.

Molecular Properties

Compound Name(E)-N-[2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]propan-1-imine
PubChem CID15462580
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC Name(E)-N-[2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]propan-1-imine
SMILESCC/C=N/c1c(-c2ccccc2C)nc2c3ccccc3ccn12
InChIInChI=1S/C21H19N3/c1-3-13-22-21-19(17-10-6-4-8-15(17)2)23-20-18-11-7-5-9-16(18)12-14-24(20)21/h4-14H,3H2,1-2H3/b22-13+
InChIKeySTLRJFMHYBLEBC-LPYMAVHISA-N
XLogP5.58
TPSA29.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]propan-1-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 (E)-N-[2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]propan-1-imine?
The IUPAC name of (E)-N-[2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]propan-1-imine (CID 15462580) is (E)-N-[2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]propan-1-imine.
What is the SMILES notation for (E)-N-[2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]propan-1-imine?
The canonical SMILES for (E)-N-[2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]propan-1-imine is CC/C=N/c1c(-c2ccccc2C)nc2c3ccccc3ccn12.
What is the InChIKey of (E)-N-[2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]propan-1-imine?
The InChIKey is STLRJFMHYBLEBC-LPYMAVHISA-N. The full InChI is InChI=1S/C21H19N3/c1-3-13-22-21-19(17-10-6-4-8-15(17)2)23-20-18-11-7-5-9-16(18)12-14-24(20)21/h4-14H,3H2,1-2H3/b22-13+.
What are the key properties of (E)-N-[2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]propan-1-imine?
(E)-N-[2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]propan-1-imine has a molecular weight of 313.40 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]propan-1-imine is sourced from PubChem (CID 15462580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).