bis(5-chloro-7-(123I)iodoquinolin-8-olate);manganese(2+)

C18H8Cl2I2MnN2O2 — CID 10372141

IUPACbis(5-chloro-7-(123I)iodoquinolin-8-olate);manganese(2+)
SMILES[Mn+2].[O-]c1c([123I])cc(Cl)c2cccnc12.[O-]c1c([123I])cc(Cl)c2cccnc12
InChIInChI=1S/2C9H5ClINO.Mn/c2*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;/h2*1-4,13H;/q;;+2/p-2/i2*11-4;
InChIKeyFXZPQBMFUHTAEW-OJQMSSNCSA-L
MW655.93 g/mol
LogP5.13
Rot. Bonds

About bis(5-chloro-7-(123I)iodoquinolin-8-olate);manganese(2+)

bis(5-chloro-7-(123I)iodoquinolin-8-olate);manganese(2+) (PubChem CID 10372141) has the molecular formula C18H8Cl2I2MnN2O2 and a molecular weight of 655.93 g/mol. Its IUPAC name is bis(5-chloro-7-(123I)iodoquinolin-8-olate);manganese(2+).

Molecular Properties

Compound Namebis(5-chloro-7-(123I)iodoquinolin-8-olate);manganese(2+)
PubChem CID10372141
Molecular FormulaC18H8Cl2I2MnN2O2
Molecular Weight655.93 g/mol
Exact Mass654.75
IUPAC Namebis(5-chloro-7-(123I)iodoquinolin-8-olate);manganese(2+)
SMILES[Mn+2].[O-]c1c([123I])cc(Cl)c2cccnc12.[O-]c1c([123I])cc(Cl)c2cccnc12
InChIInChI=1S/2C9H5ClINO.Mn/c2*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;/h2*1-4,13H;/q;;+2/p-2/i2*11-4;
InChIKeyFXZPQBMFUHTAEW-OJQMSSNCSA-L
XLogP5.13
TPSA71.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.93
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tris(5,7-dichloroquinolin-8-olate);europium(3+)
CID 171040997
tris(5,7-dichloroquinolin-8-olate);terbium(3+);dihydrate
CID 71625723
5-chloro-7-iodoquinolin-8-olate
CID 149159528
cerium(4+);tetrakis(5-chloro-7-iodoquinolin-8-olate)
CID 72708331
aluminum tris(5-chloroquinolin-8-olate)
CID 67131824
5,7-dichloroquinolin-8-ol;nickel
CID 175096460
gallium tris((5-chloro-7-iodoquinolin-8-yl)oxidanium)
CID 4532978
zinc 5-chloro-7-(18F)fluoroquinolin-8-ol
CID 10378005
bis(5-chloro-7-iodoquinolin-8-ol);indium-111(3+)
CID 25009411
bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+)
CID 25009413
7-bromo-5-chloro-8-methoxyquinoline
CID 58763008
5-chloro-7-(chloromethyl)quinolin-8-ol
CID 4702114

Frequently Asked Questions

What is the IUPAC name of bis(5-chloro-7-(123I)iodoquinolin-8-olate);manganese(2+)?
The IUPAC name of bis(5-chloro-7-(123I)iodoquinolin-8-olate);manganese(2+) (CID 10372141) is bis(5-chloro-7-(123I)iodoquinolin-8-olate);manganese(2+).
What is the SMILES notation for bis(5-chloro-7-(123I)iodoquinolin-8-olate);manganese(2+)?
The canonical SMILES for bis(5-chloro-7-(123I)iodoquinolin-8-olate);manganese(2+) is [Mn+2].[O-]c1c([123I])cc(Cl)c2cccnc12.[O-]c1c([123I])cc(Cl)c2cccnc12.
What is the InChIKey of bis(5-chloro-7-(123I)iodoquinolin-8-olate);manganese(2+)?
The InChIKey is FXZPQBMFUHTAEW-OJQMSSNCSA-L. The full InChI is InChI=1S/2C9H5ClINO.Mn/c2*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;/h2*1-4,13H;/q;;+2/p-2/i2*11-4;.
What are the key properties of bis(5-chloro-7-(123I)iodoquinolin-8-olate);manganese(2+)?
bis(5-chloro-7-(123I)iodoquinolin-8-olate);manganese(2+) has a molecular weight of 655.93 g/mol, XLogP of 5.13, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-chloro-7-(123I)iodoquinolin-8-olate);manganese(2+) is sourced from PubChem (CID 10372141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).