6-bromo-4-ethyl-7-iodo-2-methylquinoline

C12H11BrIN — CID 165442606

IUPAC6-bromo-4-ethyl-7-iodo-2-methylquinoline
SMILESCCc1cc(C)nc2cc(I)c(Br)cc12
InChIInChI=1S/C12H11BrIN/c1-3-8-4-7(2)15-12-6-11(14)10(13)5-9(8)12/h4-6H,3H2,1-2H3
InChIKeyNPIIAKPYEIKQTE-UHFFFAOYSA-N
MW376.04 g/mol
LogP4.47
Rot. Bonds1

About 6-bromo-4-ethyl-7-iodo-2-methylquinoline

6-bromo-4-ethyl-7-iodo-2-methylquinoline (PubChem CID 165442606) has the molecular formula C12H11BrIN and a molecular weight of 376.04 g/mol. Its IUPAC name is 6-bromo-4-ethyl-7-iodo-2-methylquinoline.

Molecular Properties

Compound Name6-bromo-4-ethyl-7-iodo-2-methylquinoline
PubChem CID165442606
Molecular FormulaC12H11BrIN
Molecular Weight376.04 g/mol
Exact Mass374.91
IUPAC Name6-bromo-4-ethyl-7-iodo-2-methylquinoline
SMILESCCc1cc(C)nc2cc(I)c(Br)cc12
InChIInChI=1S/C12H11BrIN/c1-3-8-4-7(2)15-12-6-11(14)10(13)5-9(8)12/h4-6H,3H2,1-2H3
InChIKeyNPIIAKPYEIKQTE-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'}

Analyze 6-bromo-4-ethyl-7-iodo-2-methylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-ethyl-7-iodo-2-methylquinoline?
The IUPAC name of 6-bromo-4-ethyl-7-iodo-2-methylquinoline (CID 165442606) is 6-bromo-4-ethyl-7-iodo-2-methylquinoline.
What is the SMILES notation for 6-bromo-4-ethyl-7-iodo-2-methylquinoline?
The canonical SMILES for 6-bromo-4-ethyl-7-iodo-2-methylquinoline is CCc1cc(C)nc2cc(I)c(Br)cc12.
What is the InChIKey of 6-bromo-4-ethyl-7-iodo-2-methylquinoline?
The InChIKey is NPIIAKPYEIKQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrIN/c1-3-8-4-7(2)15-12-6-11(14)10(13)5-9(8)12/h4-6H,3H2,1-2H3.
What are the key properties of 6-bromo-4-ethyl-7-iodo-2-methylquinoline?
6-bromo-4-ethyl-7-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 6-bromo-4-ethyl-7-iodo-2-methylquinoline is sourced from PubChem (CID 165442606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).