6,8-dibromo-3-methoxy-2-methylquinoline

C11H9Br2NO — CID 1473006

IUPAC6,8-dibromo-3-methoxy-2-methylquinoline
SMILESCOc1cc2cc(Br)cc(Br)c2nc1C
InChIInChI=1S/C11H9Br2NO/c1-6-10(15-2)4-7-3-8(12)5-9(13)11(7)14-6/h3-5H,1-2H3
InChIKeyFCFSZNPPKZCVRS-UHFFFAOYSA-N
MW331.01 g/mol
LogP4.08
Rot. Bonds1

About 6,8-dibromo-3-methoxy-2-methylquinoline

6,8-dibromo-3-methoxy-2-methylquinoline (PubChem CID 1473006) has the molecular formula C11H9Br2NO and a molecular weight of 331.01 g/mol. Its IUPAC name is 6,8-dibromo-3-methoxy-2-methylquinoline.

Molecular Properties

Compound Name6,8-dibromo-3-methoxy-2-methylquinoline
PubChem CID1473006
Molecular FormulaC11H9Br2NO
Molecular Weight331.01 g/mol
Exact Mass328.91
IUPAC Name6,8-dibromo-3-methoxy-2-methylquinoline
SMILESCOc1cc2cc(Br)cc(Br)c2nc1C
InChIInChI=1S/C11H9Br2NO/c1-6-10(15-2)4-7-3-8(12)5-9(13)11(7)14-6/h3-5H,1-2H3
InChIKeyFCFSZNPPKZCVRS-UHFFFAOYSA-N
XLogP4.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.01
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-3-methoxy-2-methylquinoline?
The IUPAC name of 6,8-dibromo-3-methoxy-2-methylquinoline (CID 1473006) is 6,8-dibromo-3-methoxy-2-methylquinoline.
What is the SMILES notation for 6,8-dibromo-3-methoxy-2-methylquinoline?
The canonical SMILES for 6,8-dibromo-3-methoxy-2-methylquinoline is COc1cc2cc(Br)cc(Br)c2nc1C.
What is the InChIKey of 6,8-dibromo-3-methoxy-2-methylquinoline?
The InChIKey is FCFSZNPPKZCVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2NO/c1-6-10(15-2)4-7-3-8(12)5-9(13)11(7)14-6/h3-5H,1-2H3.
What are the key properties of 6,8-dibromo-3-methoxy-2-methylquinoline?
6,8-dibromo-3-methoxy-2-methylquinoline has a molecular weight of 331.01 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-3-methoxy-2-methylquinoline is sourced from PubChem (CID 1473006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).