2-ethoxy-3-iodoquinoline

C11H10INO — CID 122494291

IUPAC2-ethoxy-3-iodoquinoline
SMILESCCOc1nc2ccccc2cc1I
InChIInChI=1S/C11H10INO/c1-2-14-11-9(12)7-8-5-3-4-6-10(8)13-11/h3-7H,2H2,1H3
InChIKeyUMZUFFFKPJNYTF-UHFFFAOYSA-N
MW299.11 g/mol
LogP3.24
Rot. Bonds2

About 2-ethoxy-3-iodoquinoline

2-ethoxy-3-iodoquinoline (PubChem CID 122494291) has the molecular formula C11H10INO and a molecular weight of 299.11 g/mol. Its IUPAC name is 2-ethoxy-3-iodoquinoline.

Molecular Properties

Compound Name2-ethoxy-3-iodoquinoline
PubChem CID122494291
Molecular FormulaC11H10INO
Molecular Weight299.11 g/mol
Exact Mass298.98
IUPAC Name2-ethoxy-3-iodoquinoline
SMILESCCOc1nc2ccccc2cc1I
InChIInChI=1S/C11H10INO/c1-2-14-11-9(12)7-8-5-3-4-6-10(8)13-11/h3-7H,2H2,1H3
InChIKeyUMZUFFFKPJNYTF-UHFFFAOYSA-N
XLogP3.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-iodoquinoline?
The IUPAC name of 2-ethoxy-3-iodoquinoline (CID 122494291) is 2-ethoxy-3-iodoquinoline.
What is the SMILES notation for 2-ethoxy-3-iodoquinoline?
The canonical SMILES for 2-ethoxy-3-iodoquinoline is CCOc1nc2ccccc2cc1I.
What is the InChIKey of 2-ethoxy-3-iodoquinoline?
The InChIKey is UMZUFFFKPJNYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10INO/c1-2-14-11-9(12)7-8-5-3-4-6-10(8)13-11/h3-7H,2H2,1H3.
What are the key properties of 2-ethoxy-3-iodoquinoline?
2-ethoxy-3-iodoquinoline has a molecular weight of 299.11 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-iodoquinoline is sourced from PubChem (CID 122494291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).