1-(6-hydroxy-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione;1-morpholin-4-yl-2-(6-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione;2-oxo-2-(6-phenylmethoxy-1H-indol-3-yl)acetyl chloride

C52H46ClN5O11 — CID 161143061

About 1-(6-hydroxy-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione;1-morpholin-4-yl-2-(6-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione;2-oxo-2-(6-phenylmethoxy-1H-indol-3-yl)acetyl chloride

1-(6-hydroxy-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione;1-morpholin-4-yl-2-(6-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione;2-oxo-2-(6-phenylmethoxy-1H-indol-3-yl)acetyl chloride (PubChem CID 161143061) has the molecular formula C52H46ClN5O11 and a molecular weight of 952.42 g/mol. Its IUPAC name is 1-(6-hydroxy-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione;1-morpholin-4-yl-2-(6-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione;2-oxo-2-(6-phenylmethoxy-1H-indol-3-yl)acetyl chloride.

Molecular Properties

• Compound Name: 1-(6-hydroxy-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione;1-morpholin-4-yl-2-(6-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione;2-oxo-2-(6-phenylmethoxy-1H-indol-3-yl)acetyl chloride
• PubChem CID: 161143061
• Molecular Formula: C52H46ClN5O11
• Molecular Weight: 952.42 g/mol
• Exact Mass: 951.29
• IUPAC Name: 1-(6-hydroxy-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione;1-morpholin-4-yl-2-(6-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione;2-oxo-2-(6-phenylmethoxy-1H-indol-3-yl)acetyl chloride
• SMILES: O=C(C(=O)N1CCOCC1)c1c[nH]c2cc(O)ccc12.O=C(C(=O)N1CCOCC1)c1c[nH]c2cc(OCc3ccccc3)ccc12.O=C(Cl)C(=O)c1c[nH]c2cc(OCc3ccccc3)ccc12
• InChI: InChI=1S/C21H20N2O4.C17H12ClNO3.C14H14N2O4/c24-20(21(25)23-8-10-26-11-9-23)18-13-22-19-12-16(6-7-17(18)19)27-14-15-4-2-1-3-5-15;18-17(21)16(20)14-9-19-15-8-12(6-7-13(14)15)22-10-11-4-2-1-3-5-11;17-9-1-2-10-11(8-15-12(10)7-9)13(18)14(19)16-3-5-20-6-4-16/h1-7,12-13,22H,8-11,14H2;1-9,19H,10H2;1-2,7-8,15,17H,3-6H2
• InChIKey: UNRUOTZPCLONGY-UHFFFAOYSA-N
• XLogP: 7.40
• TPSA: 213.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	952.42
LogP ≤ 5	7.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxy-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione;1-morpholin-4-yl-2-(6-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione;2-oxo-2-(6-phenylmethoxy-1H-indol-3-yl)acetyl chloride?

The IUPAC name of 1-(6-hydroxy-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione;1-morpholin-4-yl-2-(6-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione;2-oxo-2-(6-phenylmethoxy-1H-indol-3-yl)acetyl chloride (CID 161143061) is 1-(6-hydroxy-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione;1-morpholin-4-yl-2-(6-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione;2-oxo-2-(6-phenylmethoxy-1H-indol-3-yl)acetyl chloride.

What is the SMILES notation for 1-(6-hydroxy-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione;1-morpholin-4-yl-2-(6-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione;2-oxo-2-(6-phenylmethoxy-1H-indol-3-yl)acetyl chloride?

The canonical SMILES for 1-(6-hydroxy-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione;1-morpholin-4-yl-2-(6-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione;2-oxo-2-(6-phenylmethoxy-1H-indol-3-yl)acetyl chloride is O=C(C(=O)N1CCOCC1)c1c[nH]c2cc(O)ccc12.O=C(C(=O)N1CCOCC1)c1c[nH]c2cc(OCc3ccccc3)ccc12.O=C(Cl)C(=O)c1c[nH]c2cc(OCc3ccccc3)ccc12.

What is the InChIKey of 1-(6-hydroxy-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione;1-morpholin-4-yl-2-(6-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione;2-oxo-2-(6-phenylmethoxy-1H-indol-3-yl)acetyl chloride?

The InChIKey is UNRUOTZPCLONGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4.C17H12ClNO3.C14H14N2O4/c24-20(21(25)23-8-10-26-11-9-23)18-13-22-19-12-16(6-7-17(18)19)27-14-15-4-2-1-3-5-15;18-17(21)16(20)14-9-19-15-8-12(6-7-13(14)15)22-10-11-4-2-1-3-5-11;17-9-1-2-10-11(8-15-12(10)7-9)13(18)14(19)16-3-5-20-6-4-16/h1-7,12-13,22H,8-11,14H2;1-9,19H,10H2;1-2,7-8,15,17H,3-6H2.

What are the key properties of 1-(6-hydroxy-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione;1-morpholin-4-yl-2-(6-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione;2-oxo-2-(6-phenylmethoxy-1H-indol-3-yl)acetyl chloride?

1-(6-hydroxy-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione;1-morpholin-4-yl-2-(6-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione;2-oxo-2-(6-phenylmethoxy-1H-indol-3-yl)acetyl chloride has a molecular weight of 952.42 g/mol, XLogP of 7.40, 12 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-hydroxy-1H-indol-3-yl)-2-morpholin-4-ylethane-1,2-dione;1-morpholin-4-yl-2-(6-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione;2-oxo-2-(6-phenylmethoxy-1H-indol-3-yl)acetyl chloride is sourced from PubChem (CID 161143061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).