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

C8H2BrCl2IN2 — CID 122519729

IUPAC6-bromo-2,4-dichloro-8-iodoquinazoline
SMILESClc1nc(Cl)c2cc(Br)cc(I)c2n1
InChIInChI=1S/C8H2BrCl2IN2/c9-3-1-4-6(5(12)2-3)13-8(11)14-7(4)10/h1-2H
InChIKeyQQDIVALLUPYNPK-UHFFFAOYSA-N
MW403.83 g/mol
LogP4.30
Rot. Bonds

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

6-bromo-2,4-dichloro-8-iodoquinazoline (PubChem CID 122519729) has the molecular formula C8H2BrCl2IN2 and a molecular weight of 403.83 g/mol. Its IUPAC name is 6-bromo-2,4-dichloro-8-iodoquinazoline.

Molecular Properties

Compound Name6-bromo-2,4-dichloro-8-iodoquinazoline
PubChem CID122519729
Molecular FormulaC8H2BrCl2IN2
Molecular Weight403.83 g/mol
Exact Mass401.78
IUPAC Name6-bromo-2,4-dichloro-8-iodoquinazoline
SMILESClc1nc(Cl)c2cc(Br)cc(I)c2n1
InChIInChI=1S/C8H2BrCl2IN2/c9-3-1-4-6(5(12)2-3)13-8(11)14-7(4)10/h1-2H
InChIKeyQQDIVALLUPYNPK-UHFFFAOYSA-N
XLogP4.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.83
LogP ≤ 54.30
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 6-bromo-2,4-dichloro-8-iodoquinazoline?
The IUPAC name of 6-bromo-2,4-dichloro-8-iodoquinazoline (CID 122519729) is 6-bromo-2,4-dichloro-8-iodoquinazoline.
What is the SMILES notation for 6-bromo-2,4-dichloro-8-iodoquinazoline?
The canonical SMILES for 6-bromo-2,4-dichloro-8-iodoquinazoline is Clc1nc(Cl)c2cc(Br)cc(I)c2n1.
What is the InChIKey of 6-bromo-2,4-dichloro-8-iodoquinazoline?
The InChIKey is QQDIVALLUPYNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2BrCl2IN2/c9-3-1-4-6(5(12)2-3)13-8(11)14-7(4)10/h1-2H.
What are the key properties of 6-bromo-2,4-dichloro-8-iodoquinazoline?
6-bromo-2,4-dichloro-8-iodoquinazoline has a molecular weight of 403.83 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,4-dichloro-8-iodoquinazoline is sourced from PubChem (CID 122519729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).