tetrazinc;tetrakis((NE,4Z)-N-[(8-oxidoquinolin-7-yl)methylidene]pyridine-4-carbohydrazonate);tetrahydrate

C64H48N16O12Zn4 — CID 139083911

IUPACtetrazinc;tetrakis((NE,4Z)-N-[(8-oxidoquinolin-7-yl)methylidene]pyridine-4-carbohydrazonate);tetrahydrate
SMILESO.O.O.O.[O-]/C(=N\N=Cc1ccc2cccnc2c1[O-])c1ccncc1.[O-]/C(=N\N=Cc1ccc2cccnc2c1[O-])c1ccncc1.[O-]/C(=N\N=Cc1ccc2cccnc2c1[O-])c1ccncc1.[O-]/C(=N\N=Cc1ccc2cccnc2c1[O-])c1ccncc1.[Zn+2].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/4C16H12N4O2.4H2O.4Zn/c4*21-15-13(4-3-11-2-1-7-18-14(11)15)10-19-20-16(22)12-5-8-17-9-6-12;;;;;;;;/h4*1-10,21H,(H,20,22);4*1H2;;;;/q;;;;;;;;4*+2/p-8
InChIKeyNBLBPNRMQHSYQF-UHFFFAOYSA-F
MW1494.75 g/mol
LogP0.07
Rot. Bonds12

About tetrazinc;tetrakis((NE,4Z)-N-[(8-oxidoquinolin-7-yl)methylidene]pyridine-4-carbohydrazonate);tetrahydrate

tetrazinc;tetrakis((NE,4Z)-N-[(8-oxidoquinolin-7-yl)methylidene]pyridine-4-carbohydrazonate);tetrahydrate (PubChem CID 139083911) has the molecular formula C64H48N16O12Zn4 and a molecular weight of 1494.75 g/mol. Its IUPAC name is tetrazinc;tetrakis((NE,4Z)-N-[(8-oxidoquinolin-7-yl)methylidene]pyridine-4-carbohydrazonate);tetrahydrate.

Molecular Properties

Compound Nametetrazinc;tetrakis((NE,4Z)-N-[(8-oxidoquinolin-7-yl)methylidene]pyridine-4-carbohydrazonate);tetrahydrate
PubChem CID139083911
Molecular FormulaC64H48N16O12Zn4
Molecular Weight1494.75 g/mol
Exact Mass1488.08
IUPAC Nametetrazinc;tetrakis((NE,4Z)-N-[(8-oxidoquinolin-7-yl)methylidene]pyridine-4-carbohydrazonate);tetrahydrate
SMILESO.O.O.O.[O-]/C(=N\N=Cc1ccc2cccnc2c1[O-])c1ccncc1.[O-]/C(=N\N=Cc1ccc2cccnc2c1[O-])c1ccncc1.[O-]/C(=N\N=Cc1ccc2cccnc2c1[O-])c1ccncc1.[O-]/C(=N\N=Cc1ccc2cccnc2c1[O-])c1ccncc1.[Zn+2].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/4C16H12N4O2.4H2O.4Zn/c4*21-15-13(4-3-11-2-1-7-18-14(11)15)10-19-20-16(22)12-5-8-17-9-6-12;;;;;;;;/h4*1-10,21H,(H,20,22);4*1H2;;;;/q;;;;;;;;4*+2/p-8
InChIKeyNBLBPNRMQHSYQF-UHFFFAOYSA-F
XLogP0.07
TPSA512.48 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001494.75
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tri(quinolin-8-yloxy)(111In)indigane
CID 16682728
Tetrakis(quinolin-8-olate);zirconium(4+)
CID 139195714
5,7-Bis(4-methylphenyl)quinolin-8-ol;5,7-bis[4-(trifluoromethyl)phenyl]quinolin-8-ol;bis(5,7-dinaphthalen-1-ylquinolin-8-ol);bis(dioxotungsten)
CID 161054806
CID 16684839
CID 16684839
Tricopper;hexakis(5,7-dimethylquinolin-8-olate)
CID 139040557
Tris(quinolin-8-olato-kappa^2^N,O)iron(III) methanol solvate
CID 139070906
Methoxyoxobis(quinolin-8-olato-kappa^2^N,O)vanadium(V)
CID 139071859
Bis(acetato-kappaO)bis(mu~3~-quinolin-8-olato-kappa^4^N,O:O:O)tetrakis(mu~2~-quinolin-8-olato-kappa^3^N,O:O)tetrazinc(II) dihydrate
CID 139076884
Tetrakis(quinolin-8-olato-kappa^2^N,O)hafnium(IV) toluene disolvate
CID 139077805
Tetrakis(8-quinolinolato-kappa^2^N,O)hafnium(IV) dimethylformamide solvate monohydrate
CID 139078843
Tetrakis(5,7-dimethylquinolin-8-olato-kappa^2^N,O)hafnium(IV) dimethylformamide disolvate
CID 139082165
1,1-bis[kappa-O,N-(8-oxyquinolinato)]silacyclohexane
CID 139102092

Frequently Asked Questions

What is the IUPAC name of tetrazinc;tetrakis((NE,4Z)-N-[(8-oxidoquinolin-7-yl)methylidene]pyridine-4-carbohydrazonate);tetrahydrate?
The IUPAC name of tetrazinc;tetrakis((NE,4Z)-N-[(8-oxidoquinolin-7-yl)methylidene]pyridine-4-carbohydrazonate);tetrahydrate (CID 139083911) is tetrazinc;tetrakis((NE,4Z)-N-[(8-oxidoquinolin-7-yl)methylidene]pyridine-4-carbohydrazonate);tetrahydrate.
What is the SMILES notation for tetrazinc;tetrakis((NE,4Z)-N-[(8-oxidoquinolin-7-yl)methylidene]pyridine-4-carbohydrazonate);tetrahydrate?
The canonical SMILES for tetrazinc;tetrakis((NE,4Z)-N-[(8-oxidoquinolin-7-yl)methylidene]pyridine-4-carbohydrazonate);tetrahydrate is O.O.O.O.[O-]/C(=N\N=Cc1ccc2cccnc2c1[O-])c1ccncc1.[O-]/C(=N\N=Cc1ccc2cccnc2c1[O-])c1ccncc1.[O-]/C(=N\N=Cc1ccc2cccnc2c1[O-])c1ccncc1.[O-]/C(=N\N=Cc1ccc2cccnc2c1[O-])c1ccncc1.[Zn+2].[Zn+2].[Zn+2].[Zn+2].
What is the InChIKey of tetrazinc;tetrakis((NE,4Z)-N-[(8-oxidoquinolin-7-yl)methylidene]pyridine-4-carbohydrazonate);tetrahydrate?
The InChIKey is NBLBPNRMQHSYQF-UHFFFAOYSA-F. The full InChI is InChI=1S/4C16H12N4O2.4H2O.4Zn/c4*21-15-13(4-3-11-2-1-7-18-14(11)15)10-19-20-16(22)12-5-8-17-9-6-12;;;;;;;;/h4*1-10,21H,(H,20,22);4*1H2;;;;/q;;;;;;;;4*+2/p-8.
What are the key properties of tetrazinc;tetrakis((NE,4Z)-N-[(8-oxidoquinolin-7-yl)methylidene]pyridine-4-carbohydrazonate);tetrahydrate?
tetrazinc;tetrakis((NE,4Z)-N-[(8-oxidoquinolin-7-yl)methylidene]pyridine-4-carbohydrazonate);tetrahydrate has a molecular weight of 1494.75 g/mol, XLogP of 0.07, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tetrazinc;tetrakis((NE,4Z)-N-[(8-oxidoquinolin-7-yl)methylidene]pyridine-4-carbohydrazonate);tetrahydrate is sourced from PubChem (CID 139083911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).