zinc bis(N-isoquinolin-1-ylpyridin-1-id-2-imine)

C28H20N6Zn — CID 156629591

IUPACzinc bis(N-isoquinolin-1-ylpyridin-1-id-2-imine)
SMILES[Zn+2].c1cc/c(=N/c2nccc3ccccc23)[n-]c1.c1cc/c(=N/c2nccc3ccccc23)[n-]c1
InChIInChI=1S/2C14H10N3.Zn/c2*1-2-6-12-11(5-1)8-10-16-14(12)17-13-7-3-4-9-15-13;/h2*1-10H;/q2*-1;+2
InChIKeyCUYNTFWPKLJMIR-UHFFFAOYSA-N
MW505.90 g/mol
LogP4.85
Rot. Bonds2

About zinc bis(N-isoquinolin-1-ylpyridin-1-id-2-imine)

zinc bis(N-isoquinolin-1-ylpyridin-1-id-2-imine) (PubChem CID 156629591) has the molecular formula C28H20N6Zn and a molecular weight of 505.90 g/mol. Its IUPAC name is zinc bis(N-isoquinolin-1-ylpyridin-1-id-2-imine).

Molecular Properties

Compound Namezinc bis(N-isoquinolin-1-ylpyridin-1-id-2-imine)
PubChem CID156629591
Molecular FormulaC28H20N6Zn
Molecular Weight505.90 g/mol
Exact Mass504.10
IUPAC Namezinc bis(N-isoquinolin-1-ylpyridin-1-id-2-imine)
SMILES[Zn+2].c1cc/c(=N/c2nccc3ccccc23)[n-]c1.c1cc/c(=N/c2nccc3ccccc23)[n-]c1
InChIInChI=1S/2C14H10N3.Zn/c2*1-2-6-12-11(5-1)8-10-16-14(12)17-13-7-3-4-9-15-13;/h2*1-10H;/q2*-1;+2
InChIKeyCUYNTFWPKLJMIR-UHFFFAOYSA-N
XLogP4.85
TPSA78.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.90
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze zinc bis(N-isoquinolin-1-ylpyridin-1-id-2-imine) with MolForge

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

Launch Full Analysis

Related Compounds

zinc bis(4-tert-butyl-N-isoquinolin-1-ylpyridin-1-id-2-imine)
CID 156629578
3-isoquinolin-1-yliminoprop-1-en-1-amine
CID 141421882
N-hydroxy-N'-isoquinolin-1-ylethanimidamide
CID 154033700
zinc;N-isoquinolin-1-ylisoquinolin-2-id-1-imine;9-oxa-4-aza-23-azanidahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3(8),4,6,11,14,16,18,20(24),21-undecaene
CID 162457493
dibutyl-isoquinolin-1-ylimino-oxo-λ6-sulfane
CID 132512789
1-methylsulfinylisoquinoline
CID 23423809
5-(isoquinolin-1-yliminomethyl)pyrrolidin-2-one
CID 167418145
isoquinoline-1-carboxamide;hydrochloride
CID 57458906
isoquinolin-1-ylmethanediol
CID 57261748
(1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol
CID 125479415
N,N-dimethylisoquinolin-1-amine
CID 10313317
CID 58652174
CID 58652174

Frequently Asked Questions

What is the IUPAC name of zinc bis(N-isoquinolin-1-ylpyridin-1-id-2-imine)?
The IUPAC name of zinc bis(N-isoquinolin-1-ylpyridin-1-id-2-imine) (CID 156629591) is zinc bis(N-isoquinolin-1-ylpyridin-1-id-2-imine).
What is the SMILES notation for zinc bis(N-isoquinolin-1-ylpyridin-1-id-2-imine)?
The canonical SMILES for zinc bis(N-isoquinolin-1-ylpyridin-1-id-2-imine) is [Zn+2].c1cc/c(=N/c2nccc3ccccc23)[n-]c1.c1cc/c(=N/c2nccc3ccccc23)[n-]c1.
What is the InChIKey of zinc bis(N-isoquinolin-1-ylpyridin-1-id-2-imine)?
The InChIKey is CUYNTFWPKLJMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H10N3.Zn/c2*1-2-6-12-11(5-1)8-10-16-14(12)17-13-7-3-4-9-15-13;/h2*1-10H;/q2*-1;+2.
What are the key properties of zinc bis(N-isoquinolin-1-ylpyridin-1-id-2-imine)?
zinc bis(N-isoquinolin-1-ylpyridin-1-id-2-imine) has a molecular weight of 505.90 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(N-isoquinolin-1-ylpyridin-1-id-2-imine) is sourced from PubChem (CID 156629591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).