2,4-dichloro-6-fluoro-8-iodoquinazoline

C8H2Cl2FIN2 — CID 22457637

IUPAC2,4-dichloro-6-fluoro-8-iodoquinazoline
SMILESFc1cc(I)c2nc(Cl)nc(Cl)c2c1
InChIInChI=1S/C8H2Cl2FIN2/c9-7-4-1-3(11)2-5(12)6(4)13-8(10)14-7/h1-2H
InChIKeyZKURQZCQUIYUCZ-UHFFFAOYSA-N
MW342.93 g/mol
LogP3.68
Rot. Bonds

About 2,4-dichloro-6-fluoro-8-iodoquinazoline

2,4-dichloro-6-fluoro-8-iodoquinazoline (PubChem CID 22457637) has the molecular formula C8H2Cl2FIN2 and a molecular weight of 342.93 g/mol. Its IUPAC name is 2,4-dichloro-6-fluoro-8-iodoquinazoline.

Molecular Properties

Compound Name2,4-dichloro-6-fluoro-8-iodoquinazoline
PubChem CID22457637
Molecular FormulaC8H2Cl2FIN2
Molecular Weight342.93 g/mol
Exact Mass341.86
IUPAC Name2,4-dichloro-6-fluoro-8-iodoquinazoline
SMILESFc1cc(I)c2nc(Cl)nc(Cl)c2c1
InChIInChI=1S/C8H2Cl2FIN2/c9-7-4-1-3(11)2-5(12)6(4)13-8(10)14-7/h1-2H
InChIKeyZKURQZCQUIYUCZ-UHFFFAOYSA-N
XLogP3.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.93
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-6-fluoro-8-iodoquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-fluoro-8-iodoquinazoline?
The IUPAC name of 2,4-dichloro-6-fluoro-8-iodoquinazoline (CID 22457637) is 2,4-dichloro-6-fluoro-8-iodoquinazoline.
What is the SMILES notation for 2,4-dichloro-6-fluoro-8-iodoquinazoline?
The canonical SMILES for 2,4-dichloro-6-fluoro-8-iodoquinazoline is Fc1cc(I)c2nc(Cl)nc(Cl)c2c1.
What is the InChIKey of 2,4-dichloro-6-fluoro-8-iodoquinazoline?
The InChIKey is ZKURQZCQUIYUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl2FIN2/c9-7-4-1-3(11)2-5(12)6(4)13-8(10)14-7/h1-2H.
What are the key properties of 2,4-dichloro-6-fluoro-8-iodoquinazoline?
2,4-dichloro-6-fluoro-8-iodoquinazoline has a molecular weight of 342.93 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-fluoro-8-iodoquinazoline is sourced from PubChem (CID 22457637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).