2,4,6,8-tetrachloroquinazoline

C8H2Cl4N2 — CID 12703363

IUPAC2,4,6,8-tetrachloroquinazoline
SMILESClc1cc(Cl)c2nc(Cl)nc(Cl)c2c1
InChIInChI=1S/C8H2Cl4N2/c9-3-1-4-6(5(10)2-3)13-8(12)14-7(4)11/h1-2H
InChIKeyGYUFSVVBAINEBI-UHFFFAOYSA-N
MW267.93 g/mol
LogP4.24
Rot. Bonds

About 2,4,6,8-tetrachloroquinazoline

2,4,6,8-tetrachloroquinazoline (PubChem CID 12703363) has the molecular formula C8H2Cl4N2 and a molecular weight of 267.93 g/mol. Its IUPAC name is 2,4,6,8-tetrachloroquinazoline.

Molecular Properties

Compound Name2,4,6,8-tetrachloroquinazoline
PubChem CID12703363
Molecular FormulaC8H2Cl4N2
Molecular Weight267.93 g/mol
Exact Mass265.90
IUPAC Name2,4,6,8-tetrachloroquinazoline
SMILESClc1cc(Cl)c2nc(Cl)nc(Cl)c2c1
InChIInChI=1S/C8H2Cl4N2/c9-3-1-4-6(5(10)2-3)13-8(12)14-7(4)11/h1-2H
InChIKeyGYUFSVVBAINEBI-UHFFFAOYSA-N
XLogP4.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.93
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6,8-tetrachloroquinazoline?
The IUPAC name of 2,4,6,8-tetrachloroquinazoline (CID 12703363) is 2,4,6,8-tetrachloroquinazoline.
What is the SMILES notation for 2,4,6,8-tetrachloroquinazoline?
The canonical SMILES for 2,4,6,8-tetrachloroquinazoline is Clc1cc(Cl)c2nc(Cl)nc(Cl)c2c1.
What is the InChIKey of 2,4,6,8-tetrachloroquinazoline?
The InChIKey is GYUFSVVBAINEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl4N2/c9-3-1-4-6(5(10)2-3)13-8(12)14-7(4)11/h1-2H.
What are the key properties of 2,4,6,8-tetrachloroquinazoline?
2,4,6,8-tetrachloroquinazoline has a molecular weight of 267.93 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8-tetrachloroquinazoline is sourced from PubChem (CID 12703363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).