6-methoxy-3,3,8,8-tetramethyl-1-(3-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline

C27H28N2O2 — CID 22343794

About 6-methoxy-3,3,8,8-tetramethyl-1-(3-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline

6-methoxy-3,3,8,8-tetramethyl-1-(3-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline (PubChem CID 22343794) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is 6-methoxy-3,3,8,8-tetramethyl-1-(3-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline.

Molecular Properties

• Compound Name: 6-methoxy-3,3,8,8-tetramethyl-1-(3-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
• PubChem CID: 22343794
• Molecular Formula: C27H28N2O2
• Molecular Weight: 412.53 g/mol
• Exact Mass: 412.22
• IUPAC Name: 6-methoxy-3,3,8,8-tetramethyl-1-(3-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
• SMILES: COc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(-c3ccccn3)c1)=NC(C)(C)C2
• InChI: InChI=1S/C27H28N2O2/c1-26(2)15-19-14-22(30-5)25-20(16-27(3,4)31-25)23(19)24(29-26)18-10-8-9-17(13-18)21-11-6-7-12-28-21/h6-14H,15-16H2,1-5H3
• InChIKey: MFFOTSXPIOINOQ-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 43.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.53
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,3,8,8-tetramethyl-1-(3-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline?

The IUPAC name of 6-methoxy-3,3,8,8-tetramethyl-1-(3-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline (CID 22343794) is 6-methoxy-3,3,8,8-tetramethyl-1-(3-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline.

What is the SMILES notation for 6-methoxy-3,3,8,8-tetramethyl-1-(3-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline?

The canonical SMILES for 6-methoxy-3,3,8,8-tetramethyl-1-(3-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline is COc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(-c3ccccn3)c1)=NC(C)(C)C2.

What is the InChIKey of 6-methoxy-3,3,8,8-tetramethyl-1-(3-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline?

The InChIKey is MFFOTSXPIOINOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-26(2)15-19-14-22(30-5)25-20(16-27(3,4)31-25)23(19)24(29-26)18-10-8-9-17(13-18)21-11-6-7-12-28-21/h6-14H,15-16H2,1-5H3.

What are the key properties of 6-methoxy-3,3,8,8-tetramethyl-1-(3-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline?

6-methoxy-3,3,8,8-tetramethyl-1-(3-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline has a molecular weight of 412.53 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-3,3,8,8-tetramethyl-1-(3-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline is sourced from PubChem (CID 22343794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).