4-chloro-8-iodoquinazoline

C8H4ClIN2 — CID 14397531

IUPAC4-chloro-8-iodoquinazoline
SMILESClc1ncnc2c(I)cccc12
InChIInChI=1S/C8H4ClIN2/c9-8-5-2-1-3-6(10)7(5)11-4-12-8/h1-4H
InChIKeyJMEUDFPLOIQUOL-UHFFFAOYSA-N
MW290.49 g/mol
LogP2.89
Rot. Bonds

About 4-chloro-8-iodoquinazoline

4-chloro-8-iodoquinazoline (PubChem CID 14397531) has the molecular formula C8H4ClIN2 and a molecular weight of 290.49 g/mol. Its IUPAC name is 4-chloro-8-iodoquinazoline.

Molecular Properties

Compound Name4-chloro-8-iodoquinazoline
PubChem CID14397531
Molecular FormulaC8H4ClIN2
Molecular Weight290.49 g/mol
Exact Mass289.91
IUPAC Name4-chloro-8-iodoquinazoline
SMILESClc1ncnc2c(I)cccc12
InChIInChI=1S/C8H4ClIN2/c9-8-5-2-1-3-6(10)7(5)11-4-12-8/h1-4H
InChIKeyJMEUDFPLOIQUOL-UHFFFAOYSA-N
XLogP2.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 52.89
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 4-chloro-8-iodoquinazoline?
The IUPAC name of 4-chloro-8-iodoquinazoline (CID 14397531) is 4-chloro-8-iodoquinazoline.
What is the SMILES notation for 4-chloro-8-iodoquinazoline?
The canonical SMILES for 4-chloro-8-iodoquinazoline is Clc1ncnc2c(I)cccc12.
What is the InChIKey of 4-chloro-8-iodoquinazoline?
The InChIKey is JMEUDFPLOIQUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClIN2/c9-8-5-2-1-3-6(10)7(5)11-4-12-8/h1-4H.
What are the key properties of 4-chloro-8-iodoquinazoline?
4-chloro-8-iodoquinazoline has a molecular weight of 290.49 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-iodoquinazoline is sourced from PubChem (CID 14397531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).