2-ethyl-6-fluoro-8-iodoquinolin-4-amine

C11H10FIN2 — CID 79771409

IUPAC2-ethyl-6-fluoro-8-iodoquinolin-4-amine
SMILESCCc1cc(N)c2cc(F)cc(I)c2n1
InChIInChI=1S/C11H10FIN2/c1-2-7-5-10(14)8-3-6(12)4-9(13)11(8)15-7/h3-5H,2H2,1H3,(H2,14,15)
InChIKeyMCDHQLXPBGCLAF-UHFFFAOYSA-N
MW316.12 g/mol
LogP3.12
Rot. Bonds1

About 2-ethyl-6-fluoro-8-iodoquinolin-4-amine

2-ethyl-6-fluoro-8-iodoquinolin-4-amine (PubChem CID 79771409) has the molecular formula C11H10FIN2 and a molecular weight of 316.12 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-8-iodoquinolin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-fluoro-8-iodoquinolin-4-amine
PubChem CID79771409
Molecular FormulaC11H10FIN2
Molecular Weight316.12 g/mol
Exact Mass315.99
IUPAC Name2-ethyl-6-fluoro-8-iodoquinolin-4-amine
SMILESCCc1cc(N)c2cc(F)cc(I)c2n1
InChIInChI=1S/C11H10FIN2/c1-2-7-5-10(14)8-3-6(12)4-9(13)11(8)15-7/h3-5H,2H2,1H3,(H2,14,15)
InChIKeyMCDHQLXPBGCLAF-UHFFFAOYSA-N
XLogP3.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.12
LogP ≤ 53.12
H-Bond Donors ≤ 51
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-ethyl-6-fluoro-8-iodoquinolin-4-amine?
The IUPAC name of 2-ethyl-6-fluoro-8-iodoquinolin-4-amine (CID 79771409) is 2-ethyl-6-fluoro-8-iodoquinolin-4-amine.
What is the SMILES notation for 2-ethyl-6-fluoro-8-iodoquinolin-4-amine?
The canonical SMILES for 2-ethyl-6-fluoro-8-iodoquinolin-4-amine is CCc1cc(N)c2cc(F)cc(I)c2n1.
What is the InChIKey of 2-ethyl-6-fluoro-8-iodoquinolin-4-amine?
The InChIKey is MCDHQLXPBGCLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FIN2/c1-2-7-5-10(14)8-3-6(12)4-9(13)11(8)15-7/h3-5H,2H2,1H3,(H2,14,15).
What are the key properties of 2-ethyl-6-fluoro-8-iodoquinolin-4-amine?
2-ethyl-6-fluoro-8-iodoquinolin-4-amine has a molecular weight of 316.12 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluoro-8-iodoquinolin-4-amine is sourced from PubChem (CID 79771409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).