1-(furan-2-ylmethoxy)-5-methylisoquinoline

C15H13NO2 — CID 10728804

IUPAC1-(furan-2-ylmethoxy)-5-methylisoquinoline
SMILESCc1cccc2c([18O]Cc3ccco3)nccc12
InChIInChI=1S/C15H13NO2/c1-11-4-2-6-14-13(11)7-8-16-15(14)18-10-12-5-3-9-17-12/h2-9H,10H2,1H3/i18+2
InChIKeyZPPTYIWSUUKPDS-GTFORLLLSA-N
MW241.27 g/mol
LogP3.72
Rot. Bonds3

About 1-(furan-2-ylmethoxy)-5-methylisoquinoline

1-(furan-2-ylmethoxy)-5-methylisoquinoline (PubChem CID 10728804) has the molecular formula C15H13NO2 and a molecular weight of 241.27 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-5-methylisoquinoline.

Molecular Properties

Compound Name1-(furan-2-ylmethoxy)-5-methylisoquinoline
PubChem CID10728804
Molecular FormulaC15H13NO2
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name1-(furan-2-ylmethoxy)-5-methylisoquinoline
SMILESCc1cccc2c([18O]Cc3ccco3)nccc12
InChIInChI=1S/C15H13NO2/c1-11-4-2-6-14-13(11)7-8-16-15(14)18-10-12-5-3-9-17-12/h2-9H,10H2,1H3/i18+2
InChIKeyZPPTYIWSUUKPDS-GTFORLLLSA-N
XLogP3.72
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-5-methylisoquinoline?
The IUPAC name of 1-(furan-2-ylmethoxy)-5-methylisoquinoline (CID 10728804) is 1-(furan-2-ylmethoxy)-5-methylisoquinoline.
What is the SMILES notation for 1-(furan-2-ylmethoxy)-5-methylisoquinoline?
The canonical SMILES for 1-(furan-2-ylmethoxy)-5-methylisoquinoline is Cc1cccc2c([18O]Cc3ccco3)nccc12.
What is the InChIKey of 1-(furan-2-ylmethoxy)-5-methylisoquinoline?
The InChIKey is ZPPTYIWSUUKPDS-GTFORLLLSA-N. The full InChI is InChI=1S/C15H13NO2/c1-11-4-2-6-14-13(11)7-8-16-15(14)18-10-12-5-3-9-17-12/h2-9H,10H2,1H3/i18+2.
What are the key properties of 1-(furan-2-ylmethoxy)-5-methylisoquinoline?
1-(furan-2-ylmethoxy)-5-methylisoquinoline has a molecular weight of 241.27 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethoxy)-5-methylisoquinoline is sourced from PubChem (CID 10728804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).