2-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

C25H25NO5 — CID 11750482

IUPAC2-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccco4)cc13)CC2
InChIInChI=1S/C25H25NO5/c1-27-21-7-6-17(19-13-24(31-25(19)21)20-5-4-10-30-20)14-26-9-8-16-11-22(28-2)23(29-3)12-18(16)15-26/h4-7,10-13H,8-9,14-15H2,1-3H3
InChIKeyJXCCNCOVOMQXNP-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.28
Rot. Bonds6

About 2-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

2-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline (PubChem CID 11750482) has the molecular formula C25H25NO5 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
PubChem CID11750482
Molecular FormulaC25H25NO5
Molecular Weight419.48 g/mol
Exact Mass419.17
IUPAC Name2-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccco4)cc13)CC2
InChIInChI=1S/C25H25NO5/c1-27-21-7-6-17(19-13-24(31-25(19)21)20-5-4-10-30-20)14-26-9-8-16-11-22(28-2)23(29-3)12-18(16)15-26/h4-7,10-13H,8-9,14-15H2,1-3H3
InChIKeyJXCCNCOVOMQXNP-UHFFFAOYSA-N
XLogP5.28
TPSA57.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 4780468
6,7-Dimethoxy-2-((7-methoxy-2-(2-(trifluoromethyl)phenyl)benzofuran-4-yl)methyl)-1,2,3,4-tetrahydroisoquinoline
CID 11225732
2-((2-(2-Fluorophenyl)-7-methoxybenzofuran-4-yl)methyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 11293787
6,7-Dimethoxy-2-((7-methoxy-2-phenylbenzofuran-4-yl)methyl)-1,2,3,4-tetrahydroisoquinoline
CID 16725934
6,7-Dimethoxy-2-((7-methoxy-2-(3-methoxyphenyl)benzofuran-4-yl)methyl)-1,2,3,4-tetrahydroisoquinoline
CID 44438152
Methyl 3-fluoro-4-[[4-(4-methoxydibenzofuran-1-yl)-2-oxopyrrolidin-1-yl]methyl]benzoate
CID 54576233
4-(1-benzofuran-3-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68995928
4-(1-benzofuran-4-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68996331
Methyl 5-(((2-benzyl-1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl)oxy)methyl)furan-2-carboxylate
CID 2151977
1-benzofuran-2-yl-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 2843365
(6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(furan-2-yl)methanone
CID 5045238
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 9117413

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline (CID 11750482) is 2-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccco4)cc13)CC2.
What is the InChIKey of 2-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
The InChIKey is JXCCNCOVOMQXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO5/c1-27-21-7-6-17(19-13-24(31-25(19)21)20-5-4-10-30-20)14-26-9-8-16-11-22(28-2)23(29-3)12-18(16)15-26/h4-7,10-13H,8-9,14-15H2,1-3H3.
What are the key properties of 2-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
2-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline has a molecular weight of 419.48 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 11750482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).