7-bromo-4-chloro-3,6,8-trimethylquinoline

C12H11BrClN — CID 171373456

IUPAC7-bromo-4-chloro-3,6,8-trimethylquinoline
SMILESCc1cc2c(Cl)c(C)cnc2c(C)c1Br
InChIInChI=1S/C12H11BrClN/c1-6-4-9-11(14)7(2)5-15-12(9)8(3)10(6)13/h4-5H,1-3H3
InChIKeyIXTICNBYONHPDO-UHFFFAOYSA-N
MW284.58 g/mol
LogP4.58
Rot. Bonds

About 7-bromo-4-chloro-3,6,8-trimethylquinoline

7-bromo-4-chloro-3,6,8-trimethylquinoline (PubChem CID 171373456) has the molecular formula C12H11BrClN and a molecular weight of 284.58 g/mol. Its IUPAC name is 7-bromo-4-chloro-3,6,8-trimethylquinoline.

Molecular Properties

Compound Name7-bromo-4-chloro-3,6,8-trimethylquinoline
PubChem CID171373456
Molecular FormulaC12H11BrClN
Molecular Weight284.58 g/mol
Exact Mass282.98
IUPAC Name7-bromo-4-chloro-3,6,8-trimethylquinoline
SMILESCc1cc2c(Cl)c(C)cnc2c(C)c1Br
InChIInChI=1S/C12H11BrClN/c1-6-4-9-11(14)7(2)5-15-12(9)8(3)10(6)13/h4-5H,1-3H3
InChIKeyIXTICNBYONHPDO-UHFFFAOYSA-N
XLogP4.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.58
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-3,6,8-trimethylquinoline?
The IUPAC name of 7-bromo-4-chloro-3,6,8-trimethylquinoline (CID 171373456) is 7-bromo-4-chloro-3,6,8-trimethylquinoline.
What is the SMILES notation for 7-bromo-4-chloro-3,6,8-trimethylquinoline?
The canonical SMILES for 7-bromo-4-chloro-3,6,8-trimethylquinoline is Cc1cc2c(Cl)c(C)cnc2c(C)c1Br.
What is the InChIKey of 7-bromo-4-chloro-3,6,8-trimethylquinoline?
The InChIKey is IXTICNBYONHPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN/c1-6-4-9-11(14)7(2)5-15-12(9)8(3)10(6)13/h4-5H,1-3H3.
What are the key properties of 7-bromo-4-chloro-3,6,8-trimethylquinoline?
7-bromo-4-chloro-3,6,8-trimethylquinoline has a molecular weight of 284.58 g/mol, XLogP of 4.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-3,6,8-trimethylquinoline is sourced from PubChem (CID 171373456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).