1'-benzoyl-2'-(2,4-dichlorobenzoyl)-5',7'-dimethylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

C35H26Cl2N2O3 — CID 4921621

About 1'-benzoyl-2'-(2,4-dichlorobenzoyl)-5',7'-dimethylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

1'-benzoyl-2'-(2,4-dichlorobenzoyl)-5',7'-dimethylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one (PubChem CID 4921621) has the molecular formula C35H26Cl2N2O3 and a molecular weight of 593.51 g/mol. Its IUPAC name is 1'-benzoyl-2'-(2,4-dichlorobenzoyl)-5',7'-dimethylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one.

Molecular Properties

• Compound Name: 1'-benzoyl-2'-(2,4-dichlorobenzoyl)-5',7'-dimethylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
• PubChem CID: 4921621
• Molecular Formula: C35H26Cl2N2O3
• Molecular Weight: 593.51 g/mol
• Exact Mass: 592.13
• IUPAC Name: 1'-benzoyl-2'-(2,4-dichlorobenzoyl)-5',7'-dimethylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
• SMILES: CC1=CC2N(c3ccc(C)cc31)C(C(=O)c1ccccc1)C(C(=O)c1ccc(Cl)cc1Cl)C21C(=O)Nc2ccccc21
• InChI: InChI=1S/C35H26Cl2N2O3/c1-19-12-15-28-24(16-19)20(2)17-29-35(25-10-6-7-11-27(25)38-34(35)42)30(33(41)23-14-13-22(36)18-26(23)37)31(39(28)29)32(40)21-8-4-3-5-9-21/h3-18,29-31H,1-2H3,(H,38,42)
• InChIKey: MQSRIQQIMZBVPX-UHFFFAOYSA-N
• XLogP: 7.55
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.51
LogP ≤ 5	7.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1'-benzoyl-2'-(2,4-dichlorobenzoyl)-5',7'-dimethylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?

The IUPAC name of 1'-benzoyl-2'-(2,4-dichlorobenzoyl)-5',7'-dimethylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one (CID 4921621) is 1'-benzoyl-2'-(2,4-dichlorobenzoyl)-5',7'-dimethylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one.

What is the SMILES notation for 1'-benzoyl-2'-(2,4-dichlorobenzoyl)-5',7'-dimethylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?

The canonical SMILES for 1'-benzoyl-2'-(2,4-dichlorobenzoyl)-5',7'-dimethylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one is CC1=CC2N(c3ccc(C)cc31)C(C(=O)c1ccccc1)C(C(=O)c1ccc(Cl)cc1Cl)C21C(=O)Nc2ccccc21.

What is the InChIKey of 1'-benzoyl-2'-(2,4-dichlorobenzoyl)-5',7'-dimethylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?

The InChIKey is MQSRIQQIMZBVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26Cl2N2O3/c1-19-12-15-28-24(16-19)20(2)17-29-35(25-10-6-7-11-27(25)38-34(35)42)30(33(41)23-14-13-22(36)18-26(23)37)31(39(28)29)32(40)21-8-4-3-5-9-21/h3-18,29-31H,1-2H3,(H,38,42).

What are the key properties of 1'-benzoyl-2'-(2,4-dichlorobenzoyl)-5',7'-dimethylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?

1'-benzoyl-2'-(2,4-dichlorobenzoyl)-5',7'-dimethylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one has a molecular weight of 593.51 g/mol, XLogP of 7.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-benzoyl-2'-(2,4-dichlorobenzoyl)-5',7'-dimethylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one is sourced from PubChem (CID 4921621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).