3-bromo-5,7-dimethylquinoline

C11H10BrN — CID 102493298

IUPAC3-bromo-5,7-dimethylquinoline
SMILESCc1cc(C)c2cc(Br)cnc2c1
InChIInChI=1S/C11H10BrN/c1-7-3-8(2)10-5-9(12)6-13-11(10)4-7/h3-6H,1-2H3
InChIKeyVSLPBZRCBTZJOZ-UHFFFAOYSA-N
MW236.11 g/mol
LogP3.61
Rot. Bonds

About 3-bromo-5,7-dimethylquinoline

3-bromo-5,7-dimethylquinoline (PubChem CID 102493298) has the molecular formula C11H10BrN and a molecular weight of 236.11 g/mol. Its IUPAC name is 3-bromo-5,7-dimethylquinoline.

Molecular Properties

Compound Name3-bromo-5,7-dimethylquinoline
PubChem CID102493298
Molecular FormulaC11H10BrN
Molecular Weight236.11 g/mol
Exact Mass235.00
IUPAC Name3-bromo-5,7-dimethylquinoline
SMILESCc1cc(C)c2cc(Br)cnc2c1
InChIInChI=1S/C11H10BrN/c1-7-3-8(2)10-5-9(12)6-13-11(10)4-7/h3-6H,1-2H3
InChIKeyVSLPBZRCBTZJOZ-UHFFFAOYSA-N
XLogP3.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5,7-dimethylquinoline?
The IUPAC name of 3-bromo-5,7-dimethylquinoline (CID 102493298) is 3-bromo-5,7-dimethylquinoline.
What is the SMILES notation for 3-bromo-5,7-dimethylquinoline?
The canonical SMILES for 3-bromo-5,7-dimethylquinoline is Cc1cc(C)c2cc(Br)cnc2c1.
What is the InChIKey of 3-bromo-5,7-dimethylquinoline?
The InChIKey is VSLPBZRCBTZJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN/c1-7-3-8(2)10-5-9(12)6-13-11(10)4-7/h3-6H,1-2H3.
What are the key properties of 3-bromo-5,7-dimethylquinoline?
3-bromo-5,7-dimethylquinoline has a molecular weight of 236.11 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5,7-dimethylquinoline is sourced from PubChem (CID 102493298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).