4-bromo-2,7,8-trimethylquinoline

C12H12BrN — CID 39346154

IUPAC4-bromo-2,7,8-trimethylquinoline
SMILESCc1cc(Br)c2ccc(C)c(C)c2n1
InChIInChI=1S/C12H12BrN/c1-7-4-5-10-11(13)6-8(2)14-12(10)9(7)3/h4-6H,1-3H3
InChIKeyFDEFLDIBSLKLEN-UHFFFAOYSA-N
MW250.14 g/mol
LogP3.92
Rot. Bonds

About 4-bromo-2,7,8-trimethylquinoline

4-bromo-2,7,8-trimethylquinoline (PubChem CID 39346154) has the molecular formula C12H12BrN and a molecular weight of 250.14 g/mol. Its IUPAC name is 4-bromo-2,7,8-trimethylquinoline.

Molecular Properties

Compound Name4-bromo-2,7,8-trimethylquinoline
PubChem CID39346154
Molecular FormulaC12H12BrN
Molecular Weight250.14 g/mol
Exact Mass249.02
IUPAC Name4-bromo-2,7,8-trimethylquinoline
SMILESCc1cc(Br)c2ccc(C)c(C)c2n1
InChIInChI=1S/C12H12BrN/c1-7-4-5-10-11(13)6-8(2)14-12(10)9(7)3/h4-6H,1-3H3
InChIKeyFDEFLDIBSLKLEN-UHFFFAOYSA-N
XLogP3.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,7,8-trimethylquinoline?
The IUPAC name of 4-bromo-2,7,8-trimethylquinoline (CID 39346154) is 4-bromo-2,7,8-trimethylquinoline.
What is the SMILES notation for 4-bromo-2,7,8-trimethylquinoline?
The canonical SMILES for 4-bromo-2,7,8-trimethylquinoline is Cc1cc(Br)c2ccc(C)c(C)c2n1.
What is the InChIKey of 4-bromo-2,7,8-trimethylquinoline?
The InChIKey is FDEFLDIBSLKLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN/c1-7-4-5-10-11(13)6-8(2)14-12(10)9(7)3/h4-6H,1-3H3.
What are the key properties of 4-bromo-2,7,8-trimethylquinoline?
4-bromo-2,7,8-trimethylquinoline has a molecular weight of 250.14 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,7,8-trimethylquinoline is sourced from PubChem (CID 39346154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).