2-(4-bromo-2-chlorophenyl)-4,6,8-trichloroquinazoline

C14H5BrCl4N2 — CID 63496793

IUPAC2-(4-bromo-2-chlorophenyl)-4,6,8-trichloroquinazoline
SMILESClc1cc(Cl)c2nc(-c3ccc(Br)cc3Cl)nc(Cl)c2c1
InChIInChI=1S/C14H5BrCl4N2/c15-6-1-2-8(10(17)3-6)14-20-12-9(13(19)21-14)4-7(16)5-11(12)18/h1-5H
InChIKeyXEISGEBQAMMXKQ-UHFFFAOYSA-N
MW422.92 g/mol
LogP6.67
Rot. Bonds1

About 2-(4-bromo-2-chlorophenyl)-4,6,8-trichloroquinazoline

2-(4-bromo-2-chlorophenyl)-4,6,8-trichloroquinazoline (PubChem CID 63496793) has the molecular formula C14H5BrCl4N2 and a molecular weight of 422.92 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-4,6,8-trichloroquinazoline.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-4,6,8-trichloroquinazoline
PubChem CID63496793
Molecular FormulaC14H5BrCl4N2
Molecular Weight422.92 g/mol
Exact Mass419.84
IUPAC Name2-(4-bromo-2-chlorophenyl)-4,6,8-trichloroquinazoline
SMILESClc1cc(Cl)c2nc(-c3ccc(Br)cc3Cl)nc(Cl)c2c1
InChIInChI=1S/C14H5BrCl4N2/c15-6-1-2-8(10(17)3-6)14-20-12-9(13(19)21-14)4-7(16)5-11(12)18/h1-5H
InChIKeyXEISGEBQAMMXKQ-UHFFFAOYSA-N
XLogP6.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.92
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-4,6,8-trichloroquinazoline?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-4,6,8-trichloroquinazoline (CID 63496793) is 2-(4-bromo-2-chlorophenyl)-4,6,8-trichloroquinazoline.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-4,6,8-trichloroquinazoline?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-4,6,8-trichloroquinazoline is Clc1cc(Cl)c2nc(-c3ccc(Br)cc3Cl)nc(Cl)c2c1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-4,6,8-trichloroquinazoline?
The InChIKey is XEISGEBQAMMXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5BrCl4N2/c15-6-1-2-8(10(17)3-6)14-20-12-9(13(19)21-14)4-7(16)5-11(12)18/h1-5H.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-4,6,8-trichloroquinazoline?
2-(4-bromo-2-chlorophenyl)-4,6,8-trichloroquinazoline has a molecular weight of 422.92 g/mol, XLogP of 6.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-4,6,8-trichloroquinazoline is sourced from PubChem (CID 63496793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).