5-(2-bromoethoxy)-7-iodo-2-methylquinoline

C12H11BrINO — CID 170985905

IUPAC5-(2-bromoethoxy)-7-iodo-2-methylquinoline
SMILESCc1ccc2c(OCCBr)cc(I)cc2n1
InChIInChI=1S/C12H11BrINO/c1-8-2-3-10-11(15-8)6-9(14)7-12(10)16-5-4-13/h2-3,6-7H,4-5H2,1H3
InChIKeyZWLGINDUOPYUIP-UHFFFAOYSA-N
MW392.03 g/mol
LogP3.92
Rot. Bonds3

About 5-(2-bromoethoxy)-7-iodo-2-methylquinoline

5-(2-bromoethoxy)-7-iodo-2-methylquinoline (PubChem CID 170985905) has the molecular formula C12H11BrINO and a molecular weight of 392.03 g/mol. Its IUPAC name is 5-(2-bromoethoxy)-7-iodo-2-methylquinoline.

Molecular Properties

Compound Name5-(2-bromoethoxy)-7-iodo-2-methylquinoline
PubChem CID170985905
Molecular FormulaC12H11BrINO
Molecular Weight392.03 g/mol
Exact Mass390.91
IUPAC Name5-(2-bromoethoxy)-7-iodo-2-methylquinoline
SMILESCc1ccc2c(OCCBr)cc(I)cc2n1
InChIInChI=1S/C12H11BrINO/c1-8-2-3-10-11(15-8)6-9(14)7-12(10)16-5-4-13/h2-3,6-7H,4-5H2,1H3
InChIKeyZWLGINDUOPYUIP-UHFFFAOYSA-N
XLogP3.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.03
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoethoxy)-7-iodo-2-methylquinoline?
The IUPAC name of 5-(2-bromoethoxy)-7-iodo-2-methylquinoline (CID 170985905) is 5-(2-bromoethoxy)-7-iodo-2-methylquinoline.
What is the SMILES notation for 5-(2-bromoethoxy)-7-iodo-2-methylquinoline?
The canonical SMILES for 5-(2-bromoethoxy)-7-iodo-2-methylquinoline is Cc1ccc2c(OCCBr)cc(I)cc2n1.
What is the InChIKey of 5-(2-bromoethoxy)-7-iodo-2-methylquinoline?
The InChIKey is ZWLGINDUOPYUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrINO/c1-8-2-3-10-11(15-8)6-9(14)7-12(10)16-5-4-13/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 5-(2-bromoethoxy)-7-iodo-2-methylquinoline?
5-(2-bromoethoxy)-7-iodo-2-methylquinoline has a molecular weight of 392.03 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoethoxy)-7-iodo-2-methylquinoline is sourced from PubChem (CID 170985905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).