3-iodoquinolin-4-amine

C9H7IN2 — CID 119085142

IUPAC3-iodoquinolin-4-amine
SMILESNc1c(I)cnc2ccccc12
InChIInChI=1S/C9H7IN2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H,(H2,11,12)
InChIKeyOFZLIRIPMPOTBQ-UHFFFAOYSA-N
MW270.07 g/mol
LogP2.42
Rot. Bonds

About 3-iodoquinolin-4-amine

3-iodoquinolin-4-amine (PubChem CID 119085142) has the molecular formula C9H7IN2 and a molecular weight of 270.07 g/mol. Its IUPAC name is 3-iodoquinolin-4-amine.

Molecular Properties

Compound Name3-iodoquinolin-4-amine
PubChem CID119085142
Molecular FormulaC9H7IN2
Molecular Weight270.07 g/mol
Exact Mass269.97
IUPAC Name3-iodoquinolin-4-amine
SMILESNc1c(I)cnc2ccccc12
InChIInChI=1S/C9H7IN2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H,(H2,11,12)
InChIKeyOFZLIRIPMPOTBQ-UHFFFAOYSA-N
XLogP2.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.07
LogP ≤ 52.42
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 3-iodoquinolin-4-amine?
The IUPAC name of 3-iodoquinolin-4-amine (CID 119085142) is 3-iodoquinolin-4-amine.
What is the SMILES notation for 3-iodoquinolin-4-amine?
The canonical SMILES for 3-iodoquinolin-4-amine is Nc1c(I)cnc2ccccc12.
What is the InChIKey of 3-iodoquinolin-4-amine?
The InChIKey is OFZLIRIPMPOTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H,(H2,11,12).
What are the key properties of 3-iodoquinolin-4-amine?
3-iodoquinolin-4-amine has a molecular weight of 270.07 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodoquinolin-4-amine is sourced from PubChem (CID 119085142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).