6-bromo-2-methoxy-4,8-dimethylquinoline

C12H12BrNO — CID 14570306

IUPAC6-bromo-2-methoxy-4,8-dimethylquinoline
SMILESCOc1cc(C)c2cc(Br)cc(C)c2n1
InChIInChI=1S/C12H12BrNO/c1-7-5-11(15-3)14-12-8(2)4-9(13)6-10(7)12/h4-6H,1-3H3
InChIKeyAIKOHOJIIKVWSP-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.62
Rot. Bonds1

About 6-bromo-2-methoxy-4,8-dimethylquinoline

6-bromo-2-methoxy-4,8-dimethylquinoline (PubChem CID 14570306) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 6-bromo-2-methoxy-4,8-dimethylquinoline.

Molecular Properties

Compound Name6-bromo-2-methoxy-4,8-dimethylquinoline
PubChem CID14570306
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name6-bromo-2-methoxy-4,8-dimethylquinoline
SMILESCOc1cc(C)c2cc(Br)cc(C)c2n1
InChIInChI=1S/C12H12BrNO/c1-7-5-11(15-3)14-12-8(2)4-9(13)6-10(7)12/h4-6H,1-3H3
InChIKeyAIKOHOJIIKVWSP-UHFFFAOYSA-N
XLogP3.62
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methoxy-4,8-dimethylquinoline?
The IUPAC name of 6-bromo-2-methoxy-4,8-dimethylquinoline (CID 14570306) is 6-bromo-2-methoxy-4,8-dimethylquinoline.
What is the SMILES notation for 6-bromo-2-methoxy-4,8-dimethylquinoline?
The canonical SMILES for 6-bromo-2-methoxy-4,8-dimethylquinoline is COc1cc(C)c2cc(Br)cc(C)c2n1.
What is the InChIKey of 6-bromo-2-methoxy-4,8-dimethylquinoline?
The InChIKey is AIKOHOJIIKVWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-7-5-11(15-3)14-12-8(2)4-9(13)6-10(7)12/h4-6H,1-3H3.
What are the key properties of 6-bromo-2-methoxy-4,8-dimethylquinoline?
6-bromo-2-methoxy-4,8-dimethylquinoline has a molecular weight of 266.14 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methoxy-4,8-dimethylquinoline is sourced from PubChem (CID 14570306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).