4-(7-methoxy-1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline

C19H19NO2 — CID 68995345

IUPAC4-(7-methoxy-1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cccc2cc(C3CN(C)Cc4ccccc43)oc12
InChIInChI=1S/C19H19NO2/c1-20-11-14-6-3-4-8-15(14)16(12-20)18-10-13-7-5-9-17(21-2)19(13)22-18/h3-10,16H,11-12H2,1-2H3
InChIKeyOXERSMRQMIRNOS-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.02
Rot. Bonds2

About 4-(7-methoxy-1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline

4-(7-methoxy-1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 68995345) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(7-methoxy-1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(7-methoxy-1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID68995345
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name4-(7-methoxy-1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cccc2cc(C3CN(C)Cc4ccccc43)oc12
InChIInChI=1S/C19H19NO2/c1-20-11-14-6-3-4-8-15(14)16(12-20)18-10-13-7-5-9-17(21-2)19(13)22-18/h3-10,16H,11-12H2,1-2H3
InChIKeyOXERSMRQMIRNOS-UHFFFAOYSA-N
XLogP4.02
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(7-methoxy-1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline (CID 68995345) is 4-(7-methoxy-1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(7-methoxy-1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(7-methoxy-1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline is COc1cccc2cc(C3CN(C)Cc4ccccc43)oc12.
What is the InChIKey of 4-(7-methoxy-1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is OXERSMRQMIRNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-20-11-14-6-3-4-8-15(14)16(12-20)18-10-13-7-5-9-17(21-2)19(13)22-18/h3-10,16H,11-12H2,1-2H3.
What are the key properties of 4-(7-methoxy-1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
4-(7-methoxy-1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 293.37 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68995345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).