6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline

C16H11Br2ClN2 — CID 63497676

IUPAC6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline
SMILESCc1ccc(-c2nc(Cl)c3cc(Br)cc(Br)c3n2)c(C)c1
InChIInChI=1S/C16H11Br2ClN2/c1-8-3-4-11(9(2)5-8)16-20-14-12(15(19)21-16)6-10(17)7-13(14)18/h3-7H,1-2H3
InChIKeySYAFUKGVGWXPDJ-UHFFFAOYSA-N
MW426.54 g/mol
LogP6.09
Rot. Bonds1

About 6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline

6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline (PubChem CID 63497676) has the molecular formula C16H11Br2ClN2 and a molecular weight of 426.54 g/mol. Its IUPAC name is 6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline.

Molecular Properties

Compound Name6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline
PubChem CID63497676
Molecular FormulaC16H11Br2ClN2
Molecular Weight426.54 g/mol
Exact Mass423.90
IUPAC Name6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline
SMILESCc1ccc(-c2nc(Cl)c3cc(Br)cc(Br)c3n2)c(C)c1
InChIInChI=1S/C16H11Br2ClN2/c1-8-3-4-11(9(2)5-8)16-20-14-12(15(19)21-16)6-10(17)7-13(14)18/h3-7H,1-2H3
InChIKeySYAFUKGVGWXPDJ-UHFFFAOYSA-N
XLogP6.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.54
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline?
The IUPAC name of 6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline (CID 63497676) is 6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline.
What is the SMILES notation for 6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline?
The canonical SMILES for 6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline is Cc1ccc(-c2nc(Cl)c3cc(Br)cc(Br)c3n2)c(C)c1.
What is the InChIKey of 6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline?
The InChIKey is SYAFUKGVGWXPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2ClN2/c1-8-3-4-11(9(2)5-8)16-20-14-12(15(19)21-16)6-10(17)7-13(14)18/h3-7H,1-2H3.
What are the key properties of 6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline?
6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline has a molecular weight of 426.54 g/mol, XLogP of 6.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline is sourced from PubChem (CID 63497676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).