4-[6-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine

C26H26N4O2 — CID 68998969

About 4-[6-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine

4-[6-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine (PubChem CID 68998969) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-[6-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine.

Molecular Properties

• Compound Name: 4-[6-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine
• PubChem CID: 68998969
• Molecular Formula: C26H26N4O2
• Molecular Weight: 426.52 g/mol
• Exact Mass: 426.21
• IUPAC Name: 4-[6-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine
• SMILES: CN1Cc2cc(-c3ccc(N4CCOCC4)nn3)ccc2C(c2cc3ccccc3o2)C1
• InChI: InChI=1S/C26H26N4O2/c1-29-16-20-14-18(23-8-9-26(28-27-23)30-10-12-31-13-11-30)6-7-21(20)22(17-29)25-15-19-4-2-3-5-24(19)32-25/h2-9,14-15,22H,10-13,16-17H2,1H3
• InChIKey: YUOOLPVUTLABGQ-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 54.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.52
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine?

The IUPAC name of 4-[6-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine (CID 68998969) is 4-[6-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine.

What is the SMILES notation for 4-[6-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine?

The canonical SMILES for 4-[6-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine is CN1Cc2cc(-c3ccc(N4CCOCC4)nn3)ccc2C(c2cc3ccccc3o2)C1.

What is the InChIKey of 4-[6-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine?

The InChIKey is YUOOLPVUTLABGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-29-16-20-14-18(23-8-9-26(28-27-23)30-10-12-31-13-11-30)6-7-21(20)22(17-29)25-15-19-4-2-3-5-24(19)32-25/h2-9,14-15,22H,10-13,16-17H2,1H3.

What are the key properties of 4-[6-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine?

4-[6-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine has a molecular weight of 426.52 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine is sourced from PubChem (CID 68998969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).