7,8-diiodoquinazoline

C8H4I2N2 — CID 174195964

IUPAC7,8-diiodoquinazoline
SMILESIc1ccc2cncnc2c1I
InChIInChI=1S/C8H4I2N2/c9-6-2-1-5-3-11-4-12-8(5)7(6)10/h1-4H
InChIKeyVXEQBIQMMLFTOD-UHFFFAOYSA-N
MW381.94 g/mol
LogP2.84
Rot. Bonds

About 7,8-diiodoquinazoline

7,8-diiodoquinazoline (PubChem CID 174195964) has the molecular formula C8H4I2N2 and a molecular weight of 381.94 g/mol. Its IUPAC name is 7,8-diiodoquinazoline.

Molecular Properties

Compound Name7,8-diiodoquinazoline
PubChem CID174195964
Molecular FormulaC8H4I2N2
Molecular Weight381.94 g/mol
Exact Mass381.85
IUPAC Name7,8-diiodoquinazoline
SMILESIc1ccc2cncnc2c1I
InChIInChI=1S/C8H4I2N2/c9-6-2-1-5-3-11-4-12-8(5)7(6)10/h1-4H
InChIKeyVXEQBIQMMLFTOD-UHFFFAOYSA-N
XLogP2.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.94
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,8-diiodoquinazoline?
The IUPAC name of 7,8-diiodoquinazoline (CID 174195964) is 7,8-diiodoquinazoline.
What is the SMILES notation for 7,8-diiodoquinazoline?
The canonical SMILES for 7,8-diiodoquinazoline is Ic1ccc2cncnc2c1I.
What is the InChIKey of 7,8-diiodoquinazoline?
The InChIKey is VXEQBIQMMLFTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4I2N2/c9-6-2-1-5-3-11-4-12-8(5)7(6)10/h1-4H.
What are the key properties of 7,8-diiodoquinazoline?
7,8-diiodoquinazoline has a molecular weight of 381.94 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-diiodoquinazoline is sourced from PubChem (CID 174195964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).