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

C24H18N2O4 — CID 130442472

IUPAC4-[3-methoxy-4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine
SMILESCOc1cc(Oc2nccc3occc23)ccc1-c1c(OC)ccc2cnccc12
InChIInChI=1S/C24H18N2O4/c1-27-21-6-3-15-14-25-10-7-17(15)23(21)18-5-4-16(13-22(18)28-2)30-24-19-9-12-29-20(19)8-11-26-24/h3-14H,1-2H3
InChIKeyIRTHPEUICXJGAS-UHFFFAOYSA-N
MW398.42 g/mol
LogP5.85
Rot. Bonds5

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

4-[3-methoxy-4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine (PubChem CID 130442472) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is 4-[3-methoxy-4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-[3-methoxy-4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine
PubChem CID130442472
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC Name4-[3-methoxy-4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine
SMILESCOc1cc(Oc2nccc3occc23)ccc1-c1c(OC)ccc2cnccc12
InChIInChI=1S/C24H18N2O4/c1-27-21-6-3-15-14-25-10-7-17(15)23(21)18-5-4-16(13-22(18)28-2)30-24-19-9-12-29-20(19)8-11-26-24/h3-14H,1-2H3
InChIKeyIRTHPEUICXJGAS-UHFFFAOYSA-N
XLogP5.85
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.42
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine?
The IUPAC name of 4-[3-methoxy-4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine (CID 130442472) is 4-[3-methoxy-4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine.
What is the SMILES notation for 4-[3-methoxy-4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine?
The canonical SMILES for 4-[3-methoxy-4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine is COc1cc(Oc2nccc3occc23)ccc1-c1c(OC)ccc2cnccc12.
What is the InChIKey of 4-[3-methoxy-4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine?
The InChIKey is IRTHPEUICXJGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4/c1-27-21-6-3-15-14-25-10-7-17(15)23(21)18-5-4-16(13-22(18)28-2)30-24-19-9-12-29-20(19)8-11-26-24/h3-14H,1-2H3.
What are the key properties of 4-[3-methoxy-4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine?
4-[3-methoxy-4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine has a molecular weight of 398.42 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxy-4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine is sourced from PubChem (CID 130442472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).