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

C15H9Br2ClN2 — CID 63497501

IUPAC6,8-dibromo-4-chloro-2-(2-methylphenyl)quinazoline
SMILESCc1ccccc1-c1nc(Cl)c2cc(Br)cc(Br)c2n1
InChIInChI=1S/C15H9Br2ClN2/c1-8-4-2-3-5-10(8)15-19-13-11(14(18)20-15)6-9(16)7-12(13)17/h2-7H,1H3
InChIKeyRNQCDRQZOOYGAR-UHFFFAOYSA-N
MW412.51 g/mol
LogP5.78
Rot. Bonds1

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

6,8-dibromo-4-chloro-2-(2-methylphenyl)quinazoline (PubChem CID 63497501) has the molecular formula C15H9Br2ClN2 and a molecular weight of 412.51 g/mol. Its IUPAC name is 6,8-dibromo-4-chloro-2-(2-methylphenyl)quinazoline.

Molecular Properties

Compound Name6,8-dibromo-4-chloro-2-(2-methylphenyl)quinazoline
PubChem CID63497501
Molecular FormulaC15H9Br2ClN2
Molecular Weight412.51 g/mol
Exact Mass409.88
IUPAC Name6,8-dibromo-4-chloro-2-(2-methylphenyl)quinazoline
SMILESCc1ccccc1-c1nc(Cl)c2cc(Br)cc(Br)c2n1
InChIInChI=1S/C15H9Br2ClN2/c1-8-4-2-3-5-10(8)15-19-13-11(14(18)20-15)6-9(16)7-12(13)17/h2-7H,1H3
InChIKeyRNQCDRQZOOYGAR-UHFFFAOYSA-N
XLogP5.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.51
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,8-dibromo-4-chloro-2-(5-chloro-2-methylphenyl)quinazoline
CID 82870561
6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline
CID 63497676
8-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-methylquinazoline
CID 114589664
6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline
CID 106860939
8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline
CID 114589638
8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline
CID 114589644
7-bromo-4-chloro-2-(2-chloro-3-methylphenyl)-8-methylquinazoline
CID 114591569
4-chloro-2-(2-methylphenyl)thieno[2,3-d]pyrimidine
CID 62177117
6,8-dibromo-2-(5-bromothiophen-3-yl)-4-chloroquinazoline
CID 107960351
4-chloro-7-fluoro-2-(2-methylphenyl)quinazoline
CID 63083992
6,8-dibromo-4-chloro-2-methylsulfanylquinazoline
CID 114692809
6-bromo-4-chloro-7-fluoro-2-(2-fluoro-3-methylphenyl)quinazoline
CID 114591270

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-4-chloro-2-(2-methylphenyl)quinazoline?
The IUPAC name of 6,8-dibromo-4-chloro-2-(2-methylphenyl)quinazoline (CID 63497501) is 6,8-dibromo-4-chloro-2-(2-methylphenyl)quinazoline.
What is the SMILES notation for 6,8-dibromo-4-chloro-2-(2-methylphenyl)quinazoline?
The canonical SMILES for 6,8-dibromo-4-chloro-2-(2-methylphenyl)quinazoline is Cc1ccccc1-c1nc(Cl)c2cc(Br)cc(Br)c2n1.
What is the InChIKey of 6,8-dibromo-4-chloro-2-(2-methylphenyl)quinazoline?
The InChIKey is RNQCDRQZOOYGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2ClN2/c1-8-4-2-3-5-10(8)15-19-13-11(14(18)20-15)6-9(16)7-12(13)17/h2-7H,1H3.
What are the key properties of 6,8-dibromo-4-chloro-2-(2-methylphenyl)quinazoline?
6,8-dibromo-4-chloro-2-(2-methylphenyl)quinazoline has a molecular weight of 412.51 g/mol, XLogP of 5.78, 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-methylphenyl)quinazoline is sourced from PubChem (CID 63497501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).