[2-(2-phenylquinazolin-4-yl)phenyl] hypoiodite

C20H13IN2O — CID 126708284

IUPAC[2-(2-phenylquinazolin-4-yl)phenyl] hypoiodite
SMILESIOc1ccccc1-c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H13IN2O/c21-24-18-13-7-5-11-16(18)19-15-10-4-6-12-17(15)22-20(23-19)14-8-2-1-3-9-14/h1-13H
InChIKeyJTNMXOIFHJFCSJ-UHFFFAOYSA-N
MW424.24 g/mol
LogP5.69
Rot. Bonds3

About [2-(2-phenylquinazolin-4-yl)phenyl] hypoiodite

[2-(2-phenylquinazolin-4-yl)phenyl] hypoiodite (PubChem CID 126708284) has the molecular formula C20H13IN2O and a molecular weight of 424.24 g/mol. Its IUPAC name is [2-(2-phenylquinazolin-4-yl)phenyl] hypoiodite.

Molecular Properties

Compound Name[2-(2-phenylquinazolin-4-yl)phenyl] hypoiodite
PubChem CID126708284
Molecular FormulaC20H13IN2O
Molecular Weight424.24 g/mol
Exact Mass424.01
IUPAC Name[2-(2-phenylquinazolin-4-yl)phenyl] hypoiodite
SMILESIOc1ccccc1-c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H13IN2O/c21-24-18-13-7-5-11-16(18)19-15-10-4-6-12-17(15)22-20(23-19)14-8-2-1-3-9-14/h1-13H
InChIKeyJTNMXOIFHJFCSJ-UHFFFAOYSA-N
XLogP5.69
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.24
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-phenylquinazolin-4-yl)phenyl] hypoiodite?
The IUPAC name of [2-(2-phenylquinazolin-4-yl)phenyl] hypoiodite (CID 126708284) is [2-(2-phenylquinazolin-4-yl)phenyl] hypoiodite.
What is the SMILES notation for [2-(2-phenylquinazolin-4-yl)phenyl] hypoiodite?
The canonical SMILES for [2-(2-phenylquinazolin-4-yl)phenyl] hypoiodite is IOc1ccccc1-c1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of [2-(2-phenylquinazolin-4-yl)phenyl] hypoiodite?
The InChIKey is JTNMXOIFHJFCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13IN2O/c21-24-18-13-7-5-11-16(18)19-15-10-4-6-12-17(15)22-20(23-19)14-8-2-1-3-9-14/h1-13H.
What are the key properties of [2-(2-phenylquinazolin-4-yl)phenyl] hypoiodite?
[2-(2-phenylquinazolin-4-yl)phenyl] hypoiodite has a molecular weight of 424.24 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-phenylquinazolin-4-yl)phenyl] hypoiodite is sourced from PubChem (CID 126708284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).