6-iodo-3-methylquinolin-4-amine

C10H9IN2 — CID 39733707

IUPAC6-iodo-3-methylquinolin-4-amine
SMILESCc1cnc2ccc(I)cc2c1N
InChIInChI=1S/C10H9IN2/c1-6-5-13-9-3-2-7(11)4-8(9)10(6)12/h2-5H,1H3,(H2,12,13)
InChIKeyRGWCYXINSRHYJZ-UHFFFAOYSA-N
MW284.10 g/mol
LogP2.73
Rot. Bonds

About 6-iodo-3-methylquinolin-4-amine

6-iodo-3-methylquinolin-4-amine (PubChem CID 39733707) has the molecular formula C10H9IN2 and a molecular weight of 284.10 g/mol. Its IUPAC name is 6-iodo-3-methylquinolin-4-amine.

Molecular Properties

Compound Name6-iodo-3-methylquinolin-4-amine
PubChem CID39733707
Molecular FormulaC10H9IN2
Molecular Weight284.10 g/mol
Exact Mass283.98
IUPAC Name6-iodo-3-methylquinolin-4-amine
SMILESCc1cnc2ccc(I)cc2c1N
InChIInChI=1S/C10H9IN2/c1-6-5-13-9-3-2-7(11)4-8(9)10(6)12/h2-5H,1H3,(H2,12,13)
InChIKeyRGWCYXINSRHYJZ-UHFFFAOYSA-N
XLogP2.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 52.73
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 6-iodo-3-methylquinolin-4-amine?
The IUPAC name of 6-iodo-3-methylquinolin-4-amine (CID 39733707) is 6-iodo-3-methylquinolin-4-amine.
What is the SMILES notation for 6-iodo-3-methylquinolin-4-amine?
The canonical SMILES for 6-iodo-3-methylquinolin-4-amine is Cc1cnc2ccc(I)cc2c1N.
What is the InChIKey of 6-iodo-3-methylquinolin-4-amine?
The InChIKey is RGWCYXINSRHYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2/c1-6-5-13-9-3-2-7(11)4-8(9)10(6)12/h2-5H,1H3,(H2,12,13).
What are the key properties of 6-iodo-3-methylquinolin-4-amine?
6-iodo-3-methylquinolin-4-amine has a molecular weight of 284.10 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-3-methylquinolin-4-amine is sourced from PubChem (CID 39733707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).