1-(4-iodophenoxy)-6-methoxyisoquinoline

C16H12INO2 — CID 106536960

IUPAC1-(4-iodophenoxy)-6-methoxyisoquinoline
SMILESCOc1ccc2c(Oc3ccc(I)cc3)nccc2c1
InChIInChI=1S/C16H12INO2/c1-19-14-6-7-15-11(10-14)8-9-18-16(15)20-13-4-2-12(17)3-5-13/h2-10H,1H3
InChIKeyDAOMJSUFBSBQNU-UHFFFAOYSA-N
MW377.18 g/mol
LogP4.64
Rot. Bonds3

About 1-(4-iodophenoxy)-6-methoxyisoquinoline

1-(4-iodophenoxy)-6-methoxyisoquinoline (PubChem CID 106536960) has the molecular formula C16H12INO2 and a molecular weight of 377.18 g/mol. Its IUPAC name is 1-(4-iodophenoxy)-6-methoxyisoquinoline.

Molecular Properties

Compound Name1-(4-iodophenoxy)-6-methoxyisoquinoline
PubChem CID106536960
Molecular FormulaC16H12INO2
Molecular Weight377.18 g/mol
Exact Mass376.99
IUPAC Name1-(4-iodophenoxy)-6-methoxyisoquinoline
SMILESCOc1ccc2c(Oc3ccc(I)cc3)nccc2c1
InChIInChI=1S/C16H12INO2/c1-19-14-6-7-15-11(10-14)8-9-18-16(15)20-13-4-2-12(17)3-5-13/h2-10H,1H3
InChIKeyDAOMJSUFBSBQNU-UHFFFAOYSA-N
XLogP4.64
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.18
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 106541265
[3-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 106541270
2-(6-methoxyisoquinolin-1-yl)oxy-5-methylaniline
CID 106540123
4-fluoro-2-(6-methoxyisoquinolin-1-yl)oxyaniline
CID 106540081
(6-methoxyisoquinolin-1-yl) hydrogen carbonate
CID 70843477
4-(6-methoxyisoquinolin-1-yl)oxythiophene-2-carboxylic acid
CID 106541785
4-chloro-3-(6-methoxyisoquinolin-1-yl)oxyaniline
CID 106540158
4-bromo-3-(6-methoxyisoquinolin-1-yl)oxyaniline
CID 106540208
1-chloro-6-methoxyisoquinoline;ethane
CID 91465219
(S)-(6-methoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol
CID 125482431
2-(4-iodophenoxy)-3-methylpyrazine
CID 83063242
2-(6-methoxyisoquinolin-1-yl)propan-2-ol
CID 116995429

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenoxy)-6-methoxyisoquinoline?
The IUPAC name of 1-(4-iodophenoxy)-6-methoxyisoquinoline (CID 106536960) is 1-(4-iodophenoxy)-6-methoxyisoquinoline.
What is the SMILES notation for 1-(4-iodophenoxy)-6-methoxyisoquinoline?
The canonical SMILES for 1-(4-iodophenoxy)-6-methoxyisoquinoline is COc1ccc2c(Oc3ccc(I)cc3)nccc2c1.
What is the InChIKey of 1-(4-iodophenoxy)-6-methoxyisoquinoline?
The InChIKey is DAOMJSUFBSBQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12INO2/c1-19-14-6-7-15-11(10-14)8-9-18-16(15)20-13-4-2-12(17)3-5-13/h2-10H,1H3.
What are the key properties of 1-(4-iodophenoxy)-6-methoxyisoquinoline?
1-(4-iodophenoxy)-6-methoxyisoquinoline has a molecular weight of 377.18 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenoxy)-6-methoxyisoquinoline is sourced from PubChem (CID 106536960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).