8-[(4-iodophenoxy)methyl]quinolin-5-amine

C16H13IN2O — CID 43376888

IUPAC8-[(4-iodophenoxy)methyl]quinolin-5-amine
SMILESNc1ccc(COc2ccc(I)cc2)c2ncccc12
InChIInChI=1S/C16H13IN2O/c17-12-4-6-13(7-5-12)20-10-11-3-8-15(18)14-2-1-9-19-16(11)14/h1-9H,10,18H2
InChIKeyMEFXKJVWMYDYLP-UHFFFAOYSA-N
MW376.20 g/mol
LogP4.00
Rot. Bonds3

About 8-[(4-iodophenoxy)methyl]quinolin-5-amine

8-[(4-iodophenoxy)methyl]quinolin-5-amine (PubChem CID 43376888) has the molecular formula C16H13IN2O and a molecular weight of 376.20 g/mol. Its IUPAC name is 8-[(4-iodophenoxy)methyl]quinolin-5-amine.

Molecular Properties

Compound Name8-[(4-iodophenoxy)methyl]quinolin-5-amine
PubChem CID43376888
Molecular FormulaC16H13IN2O
Molecular Weight376.20 g/mol
Exact Mass376.01
IUPAC Name8-[(4-iodophenoxy)methyl]quinolin-5-amine
SMILESNc1ccc(COc2ccc(I)cc2)c2ncccc12
InChIInChI=1S/C16H13IN2O/c17-12-4-6-13(7-5-12)20-10-11-3-8-15(18)14-2-1-9-19-16(11)14/h1-9H,10,18H2
InChIKeyMEFXKJVWMYDYLP-UHFFFAOYSA-N
XLogP4.00
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

Ethacridine
CID 2017
7-Benzyloxyquinoline
CID 3035604
US10155760, Example 74
CID 91938067
N-(4-ethoxyphenyl)-2,8-dimethylquinolin-4-amine
CID 715734
N-(4-ethoxyphenyl)-2,6-dimethylquinolin-4-amine
CID 798218
4-Amino-6-methoxyquinoline
CID 223614
N-(4-methoxyphenyl)quinolin-4-amine
CID 739629
N-(4-(3-(piperidin-1-yl)propoxy)phenyl)quinolin-4-amine
CID 10067161
{3-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-propyl}-quinolin-4-yl-amine; Oxalic acid
CID 10949464
{2-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-ethyl}-quinolin-4-yl-amine; Oxalic acid
CID 11003651
7-Iodo-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine
CID 71457409
4-(4-Phenoxybutoxy)quinoline
CID 42631043

Frequently Asked Questions

What is the IUPAC name of 8-[(4-iodophenoxy)methyl]quinolin-5-amine?
The IUPAC name of 8-[(4-iodophenoxy)methyl]quinolin-5-amine (CID 43376888) is 8-[(4-iodophenoxy)methyl]quinolin-5-amine.
What is the SMILES notation for 8-[(4-iodophenoxy)methyl]quinolin-5-amine?
The canonical SMILES for 8-[(4-iodophenoxy)methyl]quinolin-5-amine is Nc1ccc(COc2ccc(I)cc2)c2ncccc12.
What is the InChIKey of 8-[(4-iodophenoxy)methyl]quinolin-5-amine?
The InChIKey is MEFXKJVWMYDYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN2O/c17-12-4-6-13(7-5-12)20-10-11-3-8-15(18)14-2-1-9-19-16(11)14/h1-9H,10,18H2.
What are the key properties of 8-[(4-iodophenoxy)methyl]quinolin-5-amine?
8-[(4-iodophenoxy)methyl]quinolin-5-amine has a molecular weight of 376.20 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-iodophenoxy)methyl]quinolin-5-amine is sourced from PubChem (CID 43376888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).