N-(4-iodophenyl)-2,6-dimethylquinolin-4-amine

C17H15IN2 — CID 1184486

IUPACN-(4-iodophenyl)-2,6-dimethylquinolin-4-amine
SMILESCc1ccc2nc(C)cc(Nc3ccc(I)cc3)c2c1
InChIInChI=1S/C17H15IN2/c1-11-3-8-16-15(9-11)17(10-12(2)19-16)20-14-6-4-13(18)5-7-14/h3-10H,1-2H3,(H,19,20)
InChIKeyKDLSKZHSYJGDRO-UHFFFAOYSA-N
MW374.23 g/mol
LogP5.20
Rot. Bonds2

About N-(4-iodophenyl)-2,6-dimethylquinolin-4-amine

N-(4-iodophenyl)-2,6-dimethylquinolin-4-amine (PubChem CID 1184486) has the molecular formula C17H15IN2 and a molecular weight of 374.23 g/mol. Its IUPAC name is N-(4-iodophenyl)-2,6-dimethylquinolin-4-amine.

Molecular Properties

Compound NameN-(4-iodophenyl)-2,6-dimethylquinolin-4-amine
PubChem CID1184486
Molecular FormulaC17H15IN2
Molecular Weight374.23 g/mol
Exact Mass374.03
IUPAC NameN-(4-iodophenyl)-2,6-dimethylquinolin-4-amine
SMILESCc1ccc2nc(C)cc(Nc3ccc(I)cc3)c2c1
InChIInChI=1S/C17H15IN2/c1-11-3-8-16-15(9-11)17(10-12(2)19-16)20-14-6-4-13(18)5-7-14/h3-10H,1-2H3,(H,19,20)
InChIKeyKDLSKZHSYJGDRO-UHFFFAOYSA-N
XLogP5.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.23
LogP ≤ 55.20
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 N-(4-iodophenyl)-2,6-dimethylquinolin-4-amine?
The IUPAC name of N-(4-iodophenyl)-2,6-dimethylquinolin-4-amine (CID 1184486) is N-(4-iodophenyl)-2,6-dimethylquinolin-4-amine.
What is the SMILES notation for N-(4-iodophenyl)-2,6-dimethylquinolin-4-amine?
The canonical SMILES for N-(4-iodophenyl)-2,6-dimethylquinolin-4-amine is Cc1ccc2nc(C)cc(Nc3ccc(I)cc3)c2c1.
What is the InChIKey of N-(4-iodophenyl)-2,6-dimethylquinolin-4-amine?
The InChIKey is KDLSKZHSYJGDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2/c1-11-3-8-16-15(9-11)17(10-12(2)19-16)20-14-6-4-13(18)5-7-14/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(4-iodophenyl)-2,6-dimethylquinolin-4-amine?
N-(4-iodophenyl)-2,6-dimethylquinolin-4-amine has a molecular weight of 374.23 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2,6-dimethylquinolin-4-amine is sourced from PubChem (CID 1184486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).