8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline

C₁₈H₁₇N₃O₂ — CID 50902031

About 8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline

8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline (PubChem CID 50902031) has the molecular formula C₁₈H₁₇N₃O₂ and a molecular weight of 307.35 g/mol. Its IUPAC name is 8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline.

Molecular Properties

• Compound Name: 8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
• PubChem CID: 50902031
• Molecular Formula: C₁₈H₁₇N₃O₂
• Molecular Weight: 307.35 g/mol
• Exact Mass: 307.13
• IUPAC Name: 8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
• SMILES: COc1cc2c(cc1OC)-c1c(-c3ccncc3)ncn1CC2
• InChI: InChI=1S/C18H17N3O2/c1-22-15-9-13-5-8-21-11-20-17(12-3-6-19-7-4-12)18(21)14(13)10-16(15)23-2/h3-4,6-7,9-11H,5,8H2,1-2H3
• InChIKey: OFSGUSGTAAOXPH-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 49.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.35
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?

The IUPAC name of 8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline (CID 50902031) is 8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline.

What is the SMILES notation for 8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?

The canonical SMILES for 8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline is COc1cc2c(cc1OC)-c1c(-c3ccncc3)ncn1CC2.

What is the InChIKey of 8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?

The InChIKey is OFSGUSGTAAOXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-22-15-9-13-5-8-21-11-20-17(12-3-6-19-7-4-12)18(21)14(13)10-16(15)23-2/h3-4,6-7,9-11H,5,8H2,1-2H3.

What are the key properties of 8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?

8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline has a molecular weight of 307.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline is sourced from PubChem (CID 50902031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 50902031 — identifiers, structure, computed properties (public domain)

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