2,4,6-trichloroquinazoline

C8H3Cl3N2 — CID 10421510

IUPAC2,4,6-trichloroquinazoline
SMILESClc1ccc2nc(Cl)nc(Cl)c2c1
InChIInChI=1S/C8H3Cl3N2/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H
InChIKeyVUPOGEZMJNDSHI-UHFFFAOYSA-N
MW233.49 g/mol
LogP3.59
Rot. Bonds

About 2,4,6-trichloroquinazoline

2,4,6-trichloroquinazoline (PubChem CID 10421510) has the molecular formula C8H3Cl3N2 and a molecular weight of 233.49 g/mol. Its IUPAC name is 2,4,6-trichloroquinazoline.

Molecular Properties

Compound Name2,4,6-trichloroquinazoline
PubChem CID10421510
Molecular FormulaC8H3Cl3N2
Molecular Weight233.49 g/mol
Exact Mass231.94
IUPAC Name2,4,6-trichloroquinazoline
SMILESClc1ccc2nc(Cl)nc(Cl)c2c1
InChIInChI=1S/C8H3Cl3N2/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H
InChIKeyVUPOGEZMJNDSHI-UHFFFAOYSA-N
XLogP3.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.49
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloroquinazoline?
The IUPAC name of 2,4,6-trichloroquinazoline (CID 10421510) is 2,4,6-trichloroquinazoline.
What is the SMILES notation for 2,4,6-trichloroquinazoline?
The canonical SMILES for 2,4,6-trichloroquinazoline is Clc1ccc2nc(Cl)nc(Cl)c2c1.
What is the InChIKey of 2,4,6-trichloroquinazoline?
The InChIKey is VUPOGEZMJNDSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl3N2/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H.
What are the key properties of 2,4,6-trichloroquinazoline?
2,4,6-trichloroquinazoline has a molecular weight of 233.49 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloroquinazoline is sourced from PubChem (CID 10421510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).