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

C12H11BrIN — CID 167314485

IUPAC8-bromo-6-ethyl-4-iodo-2-methylquinoline
SMILESCCc1cc(Br)c2nc(C)cc(I)c2c1
InChIInChI=1S/C12H11BrIN/c1-3-8-5-9-11(14)4-7(2)15-12(9)10(13)6-8/h4-6H,3H2,1-2H3
InChIKeyUZPJNUITKYRHEK-UHFFFAOYSA-N
MW376.04 g/mol
LogP4.47
Rot. Bonds1

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

8-bromo-6-ethyl-4-iodo-2-methylquinoline (PubChem CID 167314485) has the molecular formula C12H11BrIN and a molecular weight of 376.04 g/mol. Its IUPAC name is 8-bromo-6-ethyl-4-iodo-2-methylquinoline.

Molecular Properties

Compound Name8-bromo-6-ethyl-4-iodo-2-methylquinoline
PubChem CID167314485
Molecular FormulaC12H11BrIN
Molecular Weight376.04 g/mol
Exact Mass374.91
IUPAC Name8-bromo-6-ethyl-4-iodo-2-methylquinoline
SMILESCCc1cc(Br)c2nc(C)cc(I)c2c1
InChIInChI=1S/C12H11BrIN/c1-3-8-5-9-11(14)4-7(2)15-12(9)10(13)6-8/h4-6H,3H2,1-2H3
InChIKeyUZPJNUITKYRHEK-UHFFFAOYSA-N
XLogP4.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.04
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-bromo-4-iodo-6-methoxy-2-methylquinoline
CID 167314251
6-bromo-4-ethyl-7-iodo-2-methylquinoline
CID 165442606
8-bromo-6-ethylquinoline
CID 19381206
2-bromo-4-iodo-3-(methoxymethoxy)-6-methylpyridine
CID 166167367
8-bromo-6-chloro-2,4-dimethylquinoline
CID 82580896
2,6-dibromo-4-ethylaniline
CID 14043928
5-ethyl-1,2,3-triiodobenzene
CID 70822750
8-bromo-2,6-dimethylquinoline-4-carboxylic acid
CID 82184081
5,8-dibromo-6-fluoro-2-methylquinoline
CID 15148590
7-bromo-3-(bromomethyl)-5-ethyl-1-benzothiophene
CID 130870265
2-[(8-bromo-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 110434299
6-ethyl-2,8-dimethylquinoxaline
CID 134416600

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-ethyl-4-iodo-2-methylquinoline?
The IUPAC name of 8-bromo-6-ethyl-4-iodo-2-methylquinoline (CID 167314485) is 8-bromo-6-ethyl-4-iodo-2-methylquinoline.
What is the SMILES notation for 8-bromo-6-ethyl-4-iodo-2-methylquinoline?
The canonical SMILES for 8-bromo-6-ethyl-4-iodo-2-methylquinoline is CCc1cc(Br)c2nc(C)cc(I)c2c1.
What is the InChIKey of 8-bromo-6-ethyl-4-iodo-2-methylquinoline?
The InChIKey is UZPJNUITKYRHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrIN/c1-3-8-5-9-11(14)4-7(2)15-12(9)10(13)6-8/h4-6H,3H2,1-2H3.
What are the key properties of 8-bromo-6-ethyl-4-iodo-2-methylquinoline?
8-bromo-6-ethyl-4-iodo-2-methylquinoline has a molecular weight of 376.04 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-ethyl-4-iodo-2-methylquinoline is sourced from PubChem (CID 167314485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).