N'-methyl-2-(2-methylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide

C24H31IN4O3 — CID 109480014

About N'-methyl-2-(2-methylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide

N'-methyl-2-(2-methylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 109480014) has the molecular formula C24H31IN4O3 and a molecular weight of 550.44 g/mol. Its IUPAC name is N'-methyl-2-(2-methylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N'-methyl-2-(2-methylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide
• PubChem CID: 109480014
• Molecular Formula: C24H31IN4O3
• Molecular Weight: 550.44 g/mol
• Exact Mass: 550.14
• IUPAC Name: N'-methyl-2-(2-methylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide
• SMILES: C/N=C(\NCCOc1ccc2c(c1)CCC(=O)N2)N1CCOC(c2ccccc2C)C1.I
• InChI: InChI=1S/C24H30N4O3.HI/c1-17-5-3-4-6-20(17)22-16-28(12-14-31-22)24(25-2)26-11-13-30-19-8-9-21-18(15-19)7-10-23(29)27-21;/h3-6,8-9,15,22H,7,10-14,16H2,1-2H3,(H,25,26)(H,27,29);1H
• InChIKey: DIHSUZGOPWMINH-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 75.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.44
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-methyl-2-(2-methylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide?

The IUPAC name of N'-methyl-2-(2-methylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide (CID 109480014) is N'-methyl-2-(2-methylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide.

What is the SMILES notation for N'-methyl-2-(2-methylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide?

The canonical SMILES for N'-methyl-2-(2-methylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide is C/N=C(\NCCOc1ccc2c(c1)CCC(=O)N2)N1CCOC(c2ccccc2C)C1.I.

What is the InChIKey of N'-methyl-2-(2-methylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide?

The InChIKey is DIHSUZGOPWMINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3.HI/c1-17-5-3-4-6-20(17)22-16-28(12-14-31-22)24(25-2)26-11-13-30-19-8-9-21-18(15-19)7-10-23(29)27-21;/h3-6,8-9,15,22H,7,10-14,16H2,1-2H3,(H,25,26)(H,27,29);1H.

What are the key properties of N'-methyl-2-(2-methylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide?

N'-methyl-2-(2-methylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 550.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-methyl-2-(2-methylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109480014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).