6,8-dibromo-4-chloro-2-(5-chloro-2-methylphenyl)quinazoline

C15H8Br2Cl2N2 — CID 82870561

IUPAC6,8-dibromo-4-chloro-2-(5-chloro-2-methylphenyl)quinazoline
SMILESCc1ccc(Cl)cc1-c1nc(Cl)c2cc(Br)cc(Br)c2n1
InChIInChI=1S/C15H8Br2Cl2N2/c1-7-2-3-9(18)6-10(7)15-20-13-11(14(19)21-15)4-8(16)5-12(13)17/h2-6H,1H3
InChIKeyNRPQKLGNPJALLX-UHFFFAOYSA-N
MW446.96 g/mol
LogP6.44
Rot. Bonds1

About 6,8-dibromo-4-chloro-2-(5-chloro-2-methylphenyl)quinazoline

6,8-dibromo-4-chloro-2-(5-chloro-2-methylphenyl)quinazoline (PubChem CID 82870561) has the molecular formula C15H8Br2Cl2N2 and a molecular weight of 446.96 g/mol. Its IUPAC name is 6,8-dibromo-4-chloro-2-(5-chloro-2-methylphenyl)quinazoline.

Molecular Properties

Compound Name6,8-dibromo-4-chloro-2-(5-chloro-2-methylphenyl)quinazoline
PubChem CID82870561
Molecular FormulaC15H8Br2Cl2N2
Molecular Weight446.96 g/mol
Exact Mass443.84
IUPAC Name6,8-dibromo-4-chloro-2-(5-chloro-2-methylphenyl)quinazoline
SMILESCc1ccc(Cl)cc1-c1nc(Cl)c2cc(Br)cc(Br)c2n1
InChIInChI=1S/C15H8Br2Cl2N2/c1-7-2-3-9(18)6-10(7)15-20-13-11(14(19)21-15)4-8(16)5-12(13)17/h2-6H,1H3
InChIKeyNRPQKLGNPJALLX-UHFFFAOYSA-N
XLogP6.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.96
LogP ≤ 56.44
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-(5-chloro-2-methylphenyl)quinazoline?
The IUPAC name of 6,8-dibromo-4-chloro-2-(5-chloro-2-methylphenyl)quinazoline (CID 82870561) is 6,8-dibromo-4-chloro-2-(5-chloro-2-methylphenyl)quinazoline.
What is the SMILES notation for 6,8-dibromo-4-chloro-2-(5-chloro-2-methylphenyl)quinazoline?
The canonical SMILES for 6,8-dibromo-4-chloro-2-(5-chloro-2-methylphenyl)quinazoline is Cc1ccc(Cl)cc1-c1nc(Cl)c2cc(Br)cc(Br)c2n1.
What is the InChIKey of 6,8-dibromo-4-chloro-2-(5-chloro-2-methylphenyl)quinazoline?
The InChIKey is NRPQKLGNPJALLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br2Cl2N2/c1-7-2-3-9(18)6-10(7)15-20-13-11(14(19)21-15)4-8(16)5-12(13)17/h2-6H,1H3.
What are the key properties of 6,8-dibromo-4-chloro-2-(5-chloro-2-methylphenyl)quinazoline?
6,8-dibromo-4-chloro-2-(5-chloro-2-methylphenyl)quinazoline has a molecular weight of 446.96 g/mol, XLogP of 6.44, 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-(5-chloro-2-methylphenyl)quinazoline is sourced from PubChem (CID 82870561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).