4-[4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine

C23H16N2O3 — CID 130442561

IUPAC4-[4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine
SMILESCOc1ccc2cnccc2c1-c1ccc(Oc2nccc3occc23)cc1
InChIInChI=1S/C23H16N2O3/c1-26-21-7-4-16-14-24-11-8-18(16)22(21)15-2-5-17(6-3-15)28-23-19-10-13-27-20(19)9-12-25-23/h2-14H,1H3
InChIKeyIYKSDQDBJIYZDN-UHFFFAOYSA-N
MW368.39 g/mol
LogP5.84
Rot. Bonds4

About 4-[4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine

4-[4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine (PubChem CID 130442561) has the molecular formula C23H16N2O3 and a molecular weight of 368.39 g/mol. Its IUPAC name is 4-[4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-[4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine
PubChem CID130442561
Molecular FormulaC23H16N2O3
Molecular Weight368.39 g/mol
Exact Mass368.12
IUPAC Name4-[4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine
SMILESCOc1ccc2cnccc2c1-c1ccc(Oc2nccc3occc23)cc1
InChIInChI=1S/C23H16N2O3/c1-26-21-7-4-16-14-24-11-8-18(16)22(21)15-2-5-17(6-3-15)28-23-19-10-13-27-20(19)9-12-25-23/h2-14H,1H3
InChIKeyIYKSDQDBJIYZDN-UHFFFAOYSA-N
XLogP5.84
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.39
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine?
The IUPAC name of 4-[4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine (CID 130442561) is 4-[4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine.
What is the SMILES notation for 4-[4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine?
The canonical SMILES for 4-[4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine is COc1ccc2cnccc2c1-c1ccc(Oc2nccc3occc23)cc1.
What is the InChIKey of 4-[4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine?
The InChIKey is IYKSDQDBJIYZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O3/c1-26-21-7-4-16-14-24-11-8-18(16)22(21)15-2-5-17(6-3-15)28-23-19-10-13-27-20(19)9-12-25-23/h2-14H,1H3.
What are the key properties of 4-[4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine?
4-[4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine has a molecular weight of 368.39 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine is sourced from PubChem (CID 130442561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).