cadmium(2+);8-[[6-(quinolin-8-yloxymethyl)-2-pyridinyl]methoxy]quinoline;dinitrate

C25H19CdN5O8 — CID 139069176

IUPACcadmium(2+);8-[[6-(quinolin-8-yloxymethyl)-2-pyridinyl]methoxy]quinoline;dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cd+2].c1cc(COc2cccc3cccnc23)nc(COc2cccc3cccnc23)c1
InChIInChI=1S/C25H19N3O2.Cd.2NO3/c1-6-18-8-4-14-26-24(18)22(12-1)29-16-20-10-3-11-21(28-20)17-30-23-13-2-7-19-9-5-15-27-25(19)23;;2*2-1(3)4/h1-15H,16-17H2;;;/q;+2;2*-1
InChIKeyRWNVJHRGVHGNDJ-UHFFFAOYSA-N
MW629.87 g/mol
LogP4.86
Rot. Bonds6

About cadmium(2+);8-[[6-(quinolin-8-yloxymethyl)-2-pyridinyl]methoxy]quinoline;dinitrate

cadmium(2+);8-[[6-(quinolin-8-yloxymethyl)-2-pyridinyl]methoxy]quinoline;dinitrate (PubChem CID 139069176) has the molecular formula C25H19CdN5O8 and a molecular weight of 629.87 g/mol. Its IUPAC name is cadmium(2+);8-[[6-(quinolin-8-yloxymethyl)-2-pyridinyl]methoxy]quinoline;dinitrate.

Molecular Properties

Compound Namecadmium(2+);8-[[6-(quinolin-8-yloxymethyl)-2-pyridinyl]methoxy]quinoline;dinitrate
PubChem CID139069176
Molecular FormulaC25H19CdN5O8
Molecular Weight629.87 g/mol
Exact Mass631.03
IUPAC Namecadmium(2+);8-[[6-(quinolin-8-yloxymethyl)-2-pyridinyl]methoxy]quinoline;dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cd+2].c1cc(COc2cccc3cccnc23)nc(COc2cccc3cccnc23)c1
InChIInChI=1S/C25H19N3O2.Cd.2NO3/c1-6-18-8-4-14-26-24(18)22(12-1)29-16-20-10-3-11-21(28-20)17-30-23-13-2-7-19-9-5-15-27-25(19)23;;2*2-1(3)4/h1-15H,16-17H2;;;/q;+2;2*-1
InChIKeyRWNVJHRGVHGNDJ-UHFFFAOYSA-N
XLogP4.86
TPSA189.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.87
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze cadmium(2+);8-[[6-(quinolin-8-yloxymethyl)-2-pyridinyl]methoxy]quinoline;dinitrate 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

Tetrakis(quinolin-8-olate);zirconium(4+)
CID 139195714
Dizinc;bis(2-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-yl]oxyacetate);methanol;diperchlorate
CID 139039198
copper;N-(pyridin-2-ylmethyl)-2-quinolin-8-yloxy-N-(2-quinolin-8-yloxyethyl)ethanamine;diperchlorate
CID 139044985
Tetrakis[mu-2-(quinolin-8-yloxy)acetato]tetrakis[mu-2-(quinolin-8-yloxy)acetonitrile]tetracadmium tetrakis(perchlorate) dihydrate
CID 139061454
Methoxyoxobis(quinolin-8-olato-kappa^2^N,O)vanadium(V)
CID 139071859
Bis{mu-4'-[4-(quinolin-8-yloxymethyl)phenyl]-2,2':6',2''-terpyridine}disilver(I) bis(perchlorate) dimethylformamide disolvate
CID 139077919
hexazinc;hexakis(1-(8-phenylmethoxyquinolin-2-yl)-N,N-bis(pyridin-2-ylmethyl)methanamine);dodecaperchlorate
CID 139127858
Dizinc;bis(4-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-yl]oxybutanoate);diperchlorate;dihydrate
CID 139127860
dizinc;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]-8-methoxy-N,N-dimethyl-4-(2-methylpropoxy)quinolin-6-amine);tetranitrate;tetrahydrate
CID 139135630
zinc;1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate
CID 139166072
cadmium(2+);1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate
CID 139166073
Galia19 (Masha)
CID 139171642

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);8-[[6-(quinolin-8-yloxymethyl)-2-pyridinyl]methoxy]quinoline;dinitrate?
The IUPAC name of cadmium(2+);8-[[6-(quinolin-8-yloxymethyl)-2-pyridinyl]methoxy]quinoline;dinitrate (CID 139069176) is cadmium(2+);8-[[6-(quinolin-8-yloxymethyl)-2-pyridinyl]methoxy]quinoline;dinitrate.
What is the SMILES notation for cadmium(2+);8-[[6-(quinolin-8-yloxymethyl)-2-pyridinyl]methoxy]quinoline;dinitrate?
The canonical SMILES for cadmium(2+);8-[[6-(quinolin-8-yloxymethyl)-2-pyridinyl]methoxy]quinoline;dinitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cd+2].c1cc(COc2cccc3cccnc23)nc(COc2cccc3cccnc23)c1.
What is the InChIKey of cadmium(2+);8-[[6-(quinolin-8-yloxymethyl)-2-pyridinyl]methoxy]quinoline;dinitrate?
The InChIKey is RWNVJHRGVHGNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2.Cd.2NO3/c1-6-18-8-4-14-26-24(18)22(12-1)29-16-20-10-3-11-21(28-20)17-30-23-13-2-7-19-9-5-15-27-25(19)23;;2*2-1(3)4/h1-15H,16-17H2;;;/q;+2;2*-1.
What are the key properties of cadmium(2+);8-[[6-(quinolin-8-yloxymethyl)-2-pyridinyl]methoxy]quinoline;dinitrate?
cadmium(2+);8-[[6-(quinolin-8-yloxymethyl)-2-pyridinyl]methoxy]quinoline;dinitrate has a molecular weight of 629.87 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);8-[[6-(quinolin-8-yloxymethyl)-2-pyridinyl]methoxy]quinoline;dinitrate is sourced from PubChem (CID 139069176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).