4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine

C₂₁H₂₄N₄O₂ — CID 126489008

About 4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine

4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine (PubChem CID 126489008) has the molecular formula C₂₁H₂₄N₄O₂ and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine.

Molecular Properties

• Compound Name: 4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine
• PubChem CID: 126489008
• Molecular Formula: C₂₁H₂₄N₄O₂
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.19
• IUPAC Name: 4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine
• SMILES: c1cc(-c2nccc3c(C4CCOCC4)cc(N4CCOCC4)cc23)[nH]n1
• InChI: InChI=1S/C21H24N4O2/c1-5-22-21(20-2-6-23-24-20)19-14-16(25-7-11-27-12-8-25)13-18(17(1)19)15-3-9-26-10-4-15/h1-2,5-6,13-15H,3-4,7-12H2,(H,23,24)
• InChIKey: FXMKLFZJOKXUKO-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 63.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine?

The IUPAC name of 4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine (CID 126489008) is 4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine.

What is the SMILES notation for 4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine?

The canonical SMILES for 4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine is c1cc(-c2nccc3c(C4CCOCC4)cc(N4CCOCC4)cc23)[nH]n1.

What is the InChIKey of 4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine?

The InChIKey is FXMKLFZJOKXUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-5-22-21(20-2-6-23-24-20)19-14-16(25-7-11-27-12-8-25)13-18(17(1)19)15-3-9-26-10-4-15/h1-2,5-6,13-15H,3-4,7-12H2,(H,23,24).

What are the key properties of 4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine?

4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine has a molecular weight of 364.45 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine is sourced from PubChem (CID 126489008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 126489008 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.