zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline)

C20H14Cl2I2N2O2Zn+2 — CID 10462414

IUPACzinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline)
SMILES[11CH3]Oc1c(I)cc(Cl)c2cccnc12.[11CH3]Oc1c(I)cc(Cl)c2cccnc12.[Zn+2]
InChIInChI=1S/2C10H7ClINO.Zn/c2*1-14-10-8(12)5-7(11)6-3-2-4-13-9(6)10;/h2*2-5H,1H3;/q;;+2/i2*1-1;
InChIKeyWWVHMJREIYXTMM-NQTTVQCTSA-N
MW702.45 g/mol
LogP7.00
Rot. Bonds2

About zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline)

zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline) (PubChem CID 10462414) has the molecular formula C20H14Cl2I2N2O2Zn+2 and a molecular weight of 702.45 g/mol. Its IUPAC name is zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline).

Molecular Properties

Compound Namezinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline)
PubChem CID10462414
Molecular FormulaC20H14Cl2I2N2O2Zn+2
Molecular Weight702.45 g/mol
Exact Mass699.80
IUPAC Namezinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline)
SMILES[11CH3]Oc1c(I)cc(Cl)c2cccnc12.[11CH3]Oc1c(I)cc(Cl)c2cccnc12.[Zn+2]
InChIInChI=1S/2C10H7ClINO.Zn/c2*1-14-10-8(12)5-7(11)6-3-2-4-13-9(6)10;/h2*2-5H,1H3;/q;;+2/i2*1-1;
InChIKeyWWVHMJREIYXTMM-NQTTVQCTSA-N
XLogP7.00
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.45
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-5-chloro-8-methoxyquinoline
CID 58763008
7-tert-butyl-5-iodo-8-methoxyquinoline
CID 66771930
5-chloro-7-iodoquinolin-8-olate
CID 149159528
1-(5-chloro-7-iodoquinolin-8-yl)oxy-3,3-dimethylbutan-2-one
CID 24578624
gallium tris((5-chloro-7-iodoquinolin-8-yl)oxidanium)
CID 4532978
bis(5-chloro-7-iodoquinolin-8-ol);indium-111(3+)
CID 25009411
bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+)
CID 25009413
cerium(4+);tetrakis(5-chloro-7-iodoquinolin-8-olate)
CID 72708331
(2S)-2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-methoxypropanamide
CID 97201598
4-(5-chloro-7-iodoquinolin-8-yl)oxybutanal
CID 71517386
8-[2-(bromomethyl)pentoxy]-5-chloro-7-iodoquinoline
CID 65010820
bis(5-chloro-7-iodoquinolin-8-ol);propane;zirconium
CID 174375866

Frequently Asked Questions

What is the IUPAC name of zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline)?
The IUPAC name of zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline) (CID 10462414) is zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline).
What is the SMILES notation for zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline)?
The canonical SMILES for zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline) is [11CH3]Oc1c(I)cc(Cl)c2cccnc12.[11CH3]Oc1c(I)cc(Cl)c2cccnc12.[Zn+2].
What is the InChIKey of zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline)?
The InChIKey is WWVHMJREIYXTMM-NQTTVQCTSA-N. The full InChI is InChI=1S/2C10H7ClINO.Zn/c2*1-14-10-8(12)5-7(11)6-3-2-4-13-9(6)10;/h2*2-5H,1H3;/q;;+2/i2*1-1;.
What are the key properties of zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline)?
zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline) has a molecular weight of 702.45 g/mol, XLogP of 7.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline) is sourced from PubChem (CID 10462414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).