1-(2-iodophenoxy)-5-methoxyisoquinoline

C16H12INO2 — CID 106536969

IUPAC1-(2-iodophenoxy)-5-methoxyisoquinoline
SMILESCOc1cccc2c(Oc3ccccc3I)nccc12
InChIInChI=1S/C16H12INO2/c1-19-14-8-4-5-12-11(14)9-10-18-16(12)20-15-7-3-2-6-13(15)17/h2-10H,1H3
InChIKeyHZIWQHHGVAGAKX-UHFFFAOYSA-N
MW377.18 g/mol
LogP4.64
Rot. Bonds3

About 1-(2-iodophenoxy)-5-methoxyisoquinoline

1-(2-iodophenoxy)-5-methoxyisoquinoline (PubChem CID 106536969) has the molecular formula C16H12INO2 and a molecular weight of 377.18 g/mol. Its IUPAC name is 1-(2-iodophenoxy)-5-methoxyisoquinoline.

Molecular Properties

Compound Name1-(2-iodophenoxy)-5-methoxyisoquinoline
PubChem CID106536969
Molecular FormulaC16H12INO2
Molecular Weight377.18 g/mol
Exact Mass376.99
IUPAC Name1-(2-iodophenoxy)-5-methoxyisoquinoline
SMILESCOc1cccc2c(Oc3ccccc3I)nccc12
InChIInChI=1S/C16H12INO2/c1-19-14-8-4-5-12-11(14)9-10-18-16(12)20-15-7-3-2-6-13(15)17/h2-10H,1H3
InChIKeyHZIWQHHGVAGAKX-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

3-iodo-2-(2-iodophenoxy)pyridine
CID 11475735
4-(2-iodophenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 114574355
3-(2-iodophenoxy)pyrazin-2-amine
CID 102988008
3-bromo-2-(2-iodophenoxy)-4-methylpyridine
CID 106875361
1-(2-iodophenoxy)-4-methylphthalazine
CID 60965908
5-methoxy-1-piperidin-4-yloxyisoquinoline
CID 82569775
6-(2-iodophenoxy)quinolin-5-amine
CID 43809889
N-cyclopentyl-5-methoxyisoquinolin-1-amine
CID 106537183
5-methoxy-1-piperidin-3-yloxyisoquinoline
CID 106542054
1-iodo-2-(4-methoxyphenoxy)benzene
CID 11347944
3-(2-iodophenoxy)-1-methylpyrazin-2-one
CID 62939733
2-(2,6-dimethoxyphenoxy)pyridin-3-amine
CID 16783505

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenoxy)-5-methoxyisoquinoline?
The IUPAC name of 1-(2-iodophenoxy)-5-methoxyisoquinoline (CID 106536969) is 1-(2-iodophenoxy)-5-methoxyisoquinoline.
What is the SMILES notation for 1-(2-iodophenoxy)-5-methoxyisoquinoline?
The canonical SMILES for 1-(2-iodophenoxy)-5-methoxyisoquinoline is COc1cccc2c(Oc3ccccc3I)nccc12.
What is the InChIKey of 1-(2-iodophenoxy)-5-methoxyisoquinoline?
The InChIKey is HZIWQHHGVAGAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12INO2/c1-19-14-8-4-5-12-11(14)9-10-18-16(12)20-15-7-3-2-6-13(15)17/h2-10H,1H3.
What are the key properties of 1-(2-iodophenoxy)-5-methoxyisoquinoline?
1-(2-iodophenoxy)-5-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-(2-iodophenoxy)-5-methoxyisoquinoline is sourced from PubChem (CID 106536969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).