8-bromo-4-iodo-6-methoxy-2-methylquinoline

C11H9BrINO — CID 167314251

IUPAC8-bromo-4-iodo-6-methoxy-2-methylquinoline
SMILESCOc1cc(Br)c2nc(C)cc(I)c2c1
InChIInChI=1S/C11H9BrINO/c1-6-3-10(13)8-4-7(15-2)5-9(12)11(8)14-6/h3-5H,1-2H3
InChIKeyINJXZBJNQNOUHT-UHFFFAOYSA-N
MW378.01 g/mol
LogP3.92
Rot. Bonds1

About 8-bromo-4-iodo-6-methoxy-2-methylquinoline

8-bromo-4-iodo-6-methoxy-2-methylquinoline (PubChem CID 167314251) has the molecular formula C11H9BrINO and a molecular weight of 378.01 g/mol. Its IUPAC name is 8-bromo-4-iodo-6-methoxy-2-methylquinoline.

Molecular Properties

Compound Name8-bromo-4-iodo-6-methoxy-2-methylquinoline
PubChem CID167314251
Molecular FormulaC11H9BrINO
Molecular Weight378.01 g/mol
Exact Mass376.89
IUPAC Name8-bromo-4-iodo-6-methoxy-2-methylquinoline
SMILESCOc1cc(Br)c2nc(C)cc(I)c2c1
InChIInChI=1S/C11H9BrINO/c1-6-3-10(13)8-4-7(15-2)5-9(12)11(8)14-6/h3-5H,1-2H3
InChIKeyINJXZBJNQNOUHT-UHFFFAOYSA-N
XLogP3.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.01
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

8-bromo-6-ethyl-4-iodo-2-methylquinoline
CID 167314485
7-bromo-5-methoxy-2-(4-methoxyphenyl)-3-methylindazole
CID 176556568
8-bromo-6-fluoro-5-methoxy-2-methylquinoline
CID 22326732
2-bromo-4-iodo-3-(methoxymethoxy)-6-methylpyridine
CID 166167367
4-bromo-7-methoxy-2-methylquinoline
CID 11550580
2,6-dibromo-4-methoxypyridine
CID 10901569
8-bromo-6-chloro-2,4-dimethylquinoline
CID 82580896
4-(4-iodo-6-methoxy-8-methylquinolin-2-yl)-2-propan-2-yl-1,3-thiazole
CID 143844716
1-bromo-6-methoxy-3-methylisoquinoline
CID 165441613
8-bromo-2-chloro-6-methoxyquinoline
CID 169499704
8-bromo-6-methoxy-4-propan-2-ylquinoline
CID 167327575
1-(fluoromethyl)-3-iodo-2,5-dimethoxybenzene
CID 118824680

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-iodo-6-methoxy-2-methylquinoline?
The IUPAC name of 8-bromo-4-iodo-6-methoxy-2-methylquinoline (CID 167314251) is 8-bromo-4-iodo-6-methoxy-2-methylquinoline.
What is the SMILES notation for 8-bromo-4-iodo-6-methoxy-2-methylquinoline?
The canonical SMILES for 8-bromo-4-iodo-6-methoxy-2-methylquinoline is COc1cc(Br)c2nc(C)cc(I)c2c1.
What is the InChIKey of 8-bromo-4-iodo-6-methoxy-2-methylquinoline?
The InChIKey is INJXZBJNQNOUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrINO/c1-6-3-10(13)8-4-7(15-2)5-9(12)11(8)14-6/h3-5H,1-2H3.
What are the key properties of 8-bromo-4-iodo-6-methoxy-2-methylquinoline?
8-bromo-4-iodo-6-methoxy-2-methylquinoline has a molecular weight of 378.01 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-iodo-6-methoxy-2-methylquinoline is sourced from PubChem (CID 167314251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).