(2-ethyl-8-iodoquinolin-4-yl)hydrazine

C11H12IN3 — CID 62252062

IUPAC(2-ethyl-8-iodoquinolin-4-yl)hydrazine
SMILESCCc1cc(NN)c2cccc(I)c2n1
InChIInChI=1S/C11H12IN3/c1-2-7-6-10(15-13)8-4-3-5-9(12)11(8)14-7/h3-6H,2,13H2,1H3,(H,14,15)
InChIKeyXRWCSHQRLQDZSY-UHFFFAOYSA-N
MW313.14 g/mol
LogP2.69
Rot. Bonds2

About (2-ethyl-8-iodoquinolin-4-yl)hydrazine

(2-ethyl-8-iodoquinolin-4-yl)hydrazine (PubChem CID 62252062) has the molecular formula C11H12IN3 and a molecular weight of 313.14 g/mol. Its IUPAC name is (2-ethyl-8-iodoquinolin-4-yl)hydrazine.

Molecular Properties

Compound Name(2-ethyl-8-iodoquinolin-4-yl)hydrazine
PubChem CID62252062
Molecular FormulaC11H12IN3
Molecular Weight313.14 g/mol
Exact Mass313.01
IUPAC Name(2-ethyl-8-iodoquinolin-4-yl)hydrazine
SMILESCCc1cc(NN)c2cccc(I)c2n1
InChIInChI=1S/C11H12IN3/c1-2-7-6-10(15-13)8-4-3-5-9(12)11(8)14-7/h3-6H,2,13H2,1H3,(H,14,15)
InChIKeyXRWCSHQRLQDZSY-UHFFFAOYSA-N
XLogP2.69
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-8-iodoquinolin-4-yl)hydrazine?
The IUPAC name of (2-ethyl-8-iodoquinolin-4-yl)hydrazine (CID 62252062) is (2-ethyl-8-iodoquinolin-4-yl)hydrazine.
What is the SMILES notation for (2-ethyl-8-iodoquinolin-4-yl)hydrazine?
The canonical SMILES for (2-ethyl-8-iodoquinolin-4-yl)hydrazine is CCc1cc(NN)c2cccc(I)c2n1.
What is the InChIKey of (2-ethyl-8-iodoquinolin-4-yl)hydrazine?
The InChIKey is XRWCSHQRLQDZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN3/c1-2-7-6-10(15-13)8-4-3-5-9(12)11(8)14-7/h3-6H,2,13H2,1H3,(H,14,15).
What are the key properties of (2-ethyl-8-iodoquinolin-4-yl)hydrazine?
(2-ethyl-8-iodoquinolin-4-yl)hydrazine has a molecular weight of 313.14 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-8-iodoquinolin-4-yl)hydrazine is sourced from PubChem (CID 62252062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).