4-(1-benzofuran-6-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline

C18H17NO — CID 68994722

IUPAC4-(1-benzofuran-6-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1NCC(c2ccc3ccoc3c2)c2ccccc21
InChIInChI=1S/C18H17NO/c1-12-15-4-2-3-5-16(15)17(11-19-12)14-7-6-13-8-9-20-18(13)10-14/h2-10,12,17,19H,11H2,1H3
InChIKeyZJYPDSCVWCXLBB-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.23
Rot. Bonds1

About 4-(1-benzofuran-6-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline

4-(1-benzofuran-6-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 68994722) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(1-benzofuran-6-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-(1-benzofuran-6-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID68994722
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name4-(1-benzofuran-6-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1NCC(c2ccc3ccoc3c2)c2ccccc21
InChIInChI=1S/C18H17NO/c1-12-15-4-2-3-5-16(15)17(11-19-12)14-7-6-13-8-9-20-18(13)10-14/h2-10,12,17,19H,11H2,1H3
InChIKeyZJYPDSCVWCXLBB-UHFFFAOYSA-N
XLogP4.23
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(1-benzofuran-6-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-6-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-(1-benzofuran-6-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline (CID 68994722) is 4-(1-benzofuran-6-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-(1-benzofuran-6-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-(1-benzofuran-6-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline is CC1NCC(c2ccc3ccoc3c2)c2ccccc21.
What is the InChIKey of 4-(1-benzofuran-6-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ZJYPDSCVWCXLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-12-15-4-2-3-5-16(15)17(11-19-12)14-7-6-13-8-9-20-18(13)10-14/h2-10,12,17,19H,11H2,1H3.
What are the key properties of 4-(1-benzofuran-6-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline?
4-(1-benzofuran-6-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 263.34 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-6-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 68994722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).