methyl 5-[[[ethylamino-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]methyl]-2-methylfuran-3-carboxylate;hydroiodide

C24H35IN4O4 — CID 111291562

About methyl 5-[[[ethylamino-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]methyl]-2-methylfuran-3-carboxylate;hydroiodide

methyl 5-[[[ethylamino-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]methyl]-2-methylfuran-3-carboxylate;hydroiodide (PubChem CID 111291562) has the molecular formula C24H35IN4O4 and a molecular weight of 570.47 g/mol. Its IUPAC name is methyl 5-[[[ethylamino-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]methyl]-2-methylfuran-3-carboxylate;hydroiodide.

Molecular Properties

• Compound Name: methyl 5-[[[ethylamino-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]methyl]-2-methylfuran-3-carboxylate;hydroiodide
• PubChem CID: 111291562
• Molecular Formula: C24H35IN4O4
• Molecular Weight: 570.47 g/mol
• Exact Mass: 570.17
• IUPAC Name: methyl 5-[[[ethylamino-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]methyl]-2-methylfuran-3-carboxylate;hydroiodide
• SMILES: CCN/C(=N\Cc1cc(C(=O)OC)c(C)o1)NCC(c1ccc(OC)cc1)N1CCCC1.I
• InChI: InChI=1S/C24H34N4O4.HI/c1-5-25-24(26-15-20-14-21(17(2)32-20)23(29)31-4)27-16-22(28-12-6-7-13-28)18-8-10-19(30-3)11-9-18;/h8-11,14,22H,5-7,12-13,15-16H2,1-4H3,(H2,25,26,27);1H
• InChIKey: IQCAINDAIJWMRB-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 88.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.47
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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 methyl 5-[[[ethylamino-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]methyl]-2-methylfuran-3-carboxylate;hydroiodide?

The IUPAC name of methyl 5-[[[ethylamino-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]methyl]-2-methylfuran-3-carboxylate;hydroiodide (CID 111291562) is methyl 5-[[[ethylamino-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]methyl]-2-methylfuran-3-carboxylate;hydroiodide.

What is the SMILES notation for methyl 5-[[[ethylamino-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]methyl]-2-methylfuran-3-carboxylate;hydroiodide?

The canonical SMILES for methyl 5-[[[ethylamino-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]methyl]-2-methylfuran-3-carboxylate;hydroiodide is CCN/C(=N\Cc1cc(C(=O)OC)c(C)o1)NCC(c1ccc(OC)cc1)N1CCCC1.I.

What is the InChIKey of methyl 5-[[[ethylamino-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]methyl]-2-methylfuran-3-carboxylate;hydroiodide?

The InChIKey is IQCAINDAIJWMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4.HI/c1-5-25-24(26-15-20-14-21(17(2)32-20)23(29)31-4)27-16-22(28-12-6-7-13-28)18-8-10-19(30-3)11-9-18;/h8-11,14,22H,5-7,12-13,15-16H2,1-4H3,(H2,25,26,27);1H.

What are the key properties of methyl 5-[[[ethylamino-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]methyl]-2-methylfuran-3-carboxylate;hydroiodide?

methyl 5-[[[ethylamino-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]methyl]-2-methylfuran-3-carboxylate;hydroiodide has a molecular weight of 570.47 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[[[ethylamino-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]methyl]-2-methylfuran-3-carboxylate;hydroiodide is sourced from PubChem (CID 111291562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).