6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-methyl-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C30H38Cl2FN3O3 — CID 66632926

About 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-methyl-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-methyl-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 66632926) has the molecular formula C30H38Cl2FN3O3 and a molecular weight of 578.56 g/mol. Its IUPAC name is 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-methyl-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

• Compound Name: 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-methyl-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
• PubChem CID: 66632926
• Molecular Formula: C30H38Cl2FN3O3
• Molecular Weight: 578.56 g/mol
• Exact Mass: 577.23
• IUPAC Name: 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-methyl-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
• SMILES: CN1C(COCCN2CCOCC2)C(c2cccc(Cl)c2F)C2(C(=O)Nc3cc(Cl)ccc32)C1CC(C)(C)C
• InChI: InChI=1S/C30H38Cl2FN3O3/c1-29(2,3)17-25-30(21-9-8-19(31)16-23(21)34-28(30)37)26(20-6-5-7-22(32)27(20)33)24(35(25)4)18-39-15-12-36-10-13-38-14-11-36/h5-9,16,24-26H,10-15,17-18H2,1-4H3,(H,34,37)
• InChIKey: IJQOKMUITSSGLE-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 54.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.56
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-methyl-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?

The IUPAC name of 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-methyl-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 66632926) is 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-methyl-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

What is the SMILES notation for 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-methyl-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?

The canonical SMILES for 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-methyl-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is CN1C(COCCN2CCOCC2)C(c2cccc(Cl)c2F)C2(C(=O)Nc3cc(Cl)ccc32)C1CC(C)(C)C.

What is the InChIKey of 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-methyl-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?

The InChIKey is IJQOKMUITSSGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38Cl2FN3O3/c1-29(2,3)17-25-30(21-9-8-19(31)16-23(21)34-28(30)37)26(20-6-5-7-22(32)27(20)33)24(35(25)4)18-39-15-12-36-10-13-38-14-11-36/h5-9,16,24-26H,10-15,17-18H2,1-4H3,(H,34,37).

What are the key properties of 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-methyl-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?

6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-methyl-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 578.56 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-methyl-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 66632926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).