N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide

C24H33IN4O2 — CID 110947179

About N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide (PubChem CID 110947179) has the molecular formula C24H33IN4O2 and a molecular weight of 536.46 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
• PubChem CID: 110947179
• Molecular Formula: C24H33IN4O2
• Molecular Weight: 536.46 g/mol
• Exact Mass: 536.16
• IUPAC Name: N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
• SMILES: C/N=C(\NCC(c1ccc(OC)cc1)N1CCOCC1)N1CCc2ccccc2C1.I
• InChI: InChI=1S/C24H32N4O2.HI/c1-25-24(28-12-11-19-5-3-4-6-21(19)18-28)26-17-23(27-13-15-30-16-14-27)20-7-9-22(29-2)10-8-20;/h3-10,23H,11-18H2,1-2H3,(H,25,26);1H
• InChIKey: DTYDFJAYRYETBU-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 49.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.46
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide?

The IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide (CID 110947179) is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide.

What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide?

The canonical SMILES for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide is C/N=C(\NCC(c1ccc(OC)cc1)N1CCOCC1)N1CCc2ccccc2C1.I.

What is the InChIKey of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide?

The InChIKey is DTYDFJAYRYETBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2.HI/c1-25-24(28-12-11-19-5-3-4-6-21(19)18-28)26-17-23(27-13-15-30-16-14-27)20-7-9-22(29-2)10-8-20;/h3-10,23H,11-18H2,1-2H3,(H,25,26);1H.

What are the key properties of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide?

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide has a molecular weight of 536.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide is sourced from PubChem (CID 110947179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).