N-benzo[f]isoquinolin-4-yl-1-(2-chlorophenyl)methanimine

C20H13ClN2 — CID 2309976

IUPACN-benzo[f]isoquinolin-4-yl-1-(2-chlorophenyl)methanimine
SMILESClc1ccccc1/C=N/c1nccc2c1ccc1ccccc12
InChIInChI=1S/C20H13ClN2/c21-19-8-4-2-6-15(19)13-23-20-18-10-9-14-5-1-3-7-16(14)17(18)11-12-22-20/h1-13H/b23-13+
InChIKeyJBSJUYNWWTXPEX-YDZHTSKRSA-N
MW316.79 g/mol
LogP5.79
Rot. Bonds2

About N-benzo[f]isoquinolin-4-yl-1-(2-chlorophenyl)methanimine

N-benzo[f]isoquinolin-4-yl-1-(2-chlorophenyl)methanimine (PubChem CID 2309976) has the molecular formula C20H13ClN2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-benzo[f]isoquinolin-4-yl-1-(2-chlorophenyl)methanimine.

Molecular Properties

Compound NameN-benzo[f]isoquinolin-4-yl-1-(2-chlorophenyl)methanimine
PubChem CID2309976
Molecular FormulaC20H13ClN2
Molecular Weight316.79 g/mol
Exact Mass316.08
IUPAC NameN-benzo[f]isoquinolin-4-yl-1-(2-chlorophenyl)methanimine
SMILESClc1ccccc1/C=N/c1nccc2c1ccc1ccccc12
InChIInChI=1S/C20H13ClN2/c21-19-8-4-2-6-15(19)13-23-20-18-10-9-14-5-1-3-7-16(14)17(18)11-12-22-20/h1-13H/b23-13+
InChIKeyJBSJUYNWWTXPEX-YDZHTSKRSA-N
XLogP5.79
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.79
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-benzo[f]isoquinolin-4-yl-1-(2-chlorophenyl)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-benzo[f]isoquinolin-4-yl-1-(2-chlorophenyl)methanimine?
The IUPAC name of N-benzo[f]isoquinolin-4-yl-1-(2-chlorophenyl)methanimine (CID 2309976) is N-benzo[f]isoquinolin-4-yl-1-(2-chlorophenyl)methanimine.
What is the SMILES notation for N-benzo[f]isoquinolin-4-yl-1-(2-chlorophenyl)methanimine?
The canonical SMILES for N-benzo[f]isoquinolin-4-yl-1-(2-chlorophenyl)methanimine is Clc1ccccc1/C=N/c1nccc2c1ccc1ccccc12.
What is the InChIKey of N-benzo[f]isoquinolin-4-yl-1-(2-chlorophenyl)methanimine?
The InChIKey is JBSJUYNWWTXPEX-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H13ClN2/c21-19-8-4-2-6-15(19)13-23-20-18-10-9-14-5-1-3-7-16(14)17(18)11-12-22-20/h1-13H/b23-13+.
What are the key properties of N-benzo[f]isoquinolin-4-yl-1-(2-chlorophenyl)methanimine?
N-benzo[f]isoquinolin-4-yl-1-(2-chlorophenyl)methanimine has a molecular weight of 316.79 g/mol, XLogP of 5.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[f]isoquinolin-4-yl-1-(2-chlorophenyl)methanimine is sourced from PubChem (CID 2309976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).