1-(furan-2-yl)-6,7-dimethoxy-3,4-dihydroisoquinoline

C15H15NO3 — CID 135078342

IUPAC1-(furan-2-yl)-6,7-dimethoxy-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(c1ccco1)=NCC2
InChIInChI=1S/C15H15NO3/c1-17-13-8-10-5-6-16-15(12-4-3-7-19-12)11(10)9-14(13)18-2/h3-4,7-9H,5-6H2,1-2H3
InChIKeyONPVOCUIQQYTNB-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.69
Rot. Bonds3

About 1-(furan-2-yl)-6,7-dimethoxy-3,4-dihydroisoquinoline

1-(furan-2-yl)-6,7-dimethoxy-3,4-dihydroisoquinoline (PubChem CID 135078342) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(furan-2-yl)-6,7-dimethoxy-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-(furan-2-yl)-6,7-dimethoxy-3,4-dihydroisoquinoline
PubChem CID135078342
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name1-(furan-2-yl)-6,7-dimethoxy-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(c1ccco1)=NCC2
InChIInChI=1S/C15H15NO3/c1-17-13-8-10-5-6-16-15(12-4-3-7-19-12)11(10)9-14(13)18-2/h3-4,7-9H,5-6H2,1-2H3
InChIKeyONPVOCUIQQYTNB-UHFFFAOYSA-N
XLogP2.69
TPSA43.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-6,7-dimethoxy-3,4-dihydroisoquinoline?
The IUPAC name of 1-(furan-2-yl)-6,7-dimethoxy-3,4-dihydroisoquinoline (CID 135078342) is 1-(furan-2-yl)-6,7-dimethoxy-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-(furan-2-yl)-6,7-dimethoxy-3,4-dihydroisoquinoline?
The canonical SMILES for 1-(furan-2-yl)-6,7-dimethoxy-3,4-dihydroisoquinoline is COc1cc2c(cc1OC)C(c1ccco1)=NCC2.
What is the InChIKey of 1-(furan-2-yl)-6,7-dimethoxy-3,4-dihydroisoquinoline?
The InChIKey is ONPVOCUIQQYTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-17-13-8-10-5-6-16-15(12-4-3-7-19-12)11(10)9-14(13)18-2/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-6,7-dimethoxy-3,4-dihydroisoquinoline?
1-(furan-2-yl)-6,7-dimethoxy-3,4-dihydroisoquinoline has a molecular weight of 257.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-6,7-dimethoxy-3,4-dihydroisoquinoline is sourced from PubChem (CID 135078342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).