6-chloro-3-[(3-chlorophenyl)methyl]-3-[6-methoxy-2-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-1H-indol-2-one

C29H27Cl2N3O4 — CID 66991680

About 6-chloro-3-[(3-chlorophenyl)methyl]-3-[6-methoxy-2-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-1H-indol-2-one

6-chloro-3-[(3-chlorophenyl)methyl]-3-[6-methoxy-2-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-1H-indol-2-one (PubChem CID 66991680) has the molecular formula C29H27Cl2N3O4 and a molecular weight of 552.46 g/mol. Its IUPAC name is 6-chloro-3-[(3-chlorophenyl)methyl]-3-[6-methoxy-2-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-1H-indol-2-one.

Molecular Properties

• Compound Name: 6-chloro-3-[(3-chlorophenyl)methyl]-3-[6-methoxy-2-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-1H-indol-2-one
• PubChem CID: 66991680
• Molecular Formula: C29H27Cl2N3O4
• Molecular Weight: 552.46 g/mol
• Exact Mass: 551.14
• IUPAC Name: 6-chloro-3-[(3-chlorophenyl)methyl]-3-[6-methoxy-2-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-1H-indol-2-one
• SMILES: COc1ccc2c(c1)N(C1(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc31)C(C(=O)N1CCOCC1)C2
• InChI: InChI=1S/C29H27Cl2N3O4/c1-37-22-7-5-19-14-26(27(35)33-9-11-38-12-10-33)34(25(19)16-22)29(17-18-3-2-4-20(30)13-18)23-8-6-21(31)15-24(23)32-28(29)36/h2-8,13,15-16,26H,9-12,14,17H2,1H3,(H,32,36)
• InChIKey: VXJLWSANCWUXES-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.46
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[6-methoxy-2-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-1H-indol-2-one?

The IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[6-methoxy-2-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-1H-indol-2-one (CID 66991680) is 6-chloro-3-[(3-chlorophenyl)methyl]-3-[6-methoxy-2-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-1H-indol-2-one.

What is the SMILES notation for 6-chloro-3-[(3-chlorophenyl)methyl]-3-[6-methoxy-2-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-1H-indol-2-one?

The canonical SMILES for 6-chloro-3-[(3-chlorophenyl)methyl]-3-[6-methoxy-2-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-1H-indol-2-one is COc1ccc2c(c1)N(C1(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc31)C(C(=O)N1CCOCC1)C2.

What is the InChIKey of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[6-methoxy-2-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-1H-indol-2-one?

The InChIKey is VXJLWSANCWUXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27Cl2N3O4/c1-37-22-7-5-19-14-26(27(35)33-9-11-38-12-10-33)34(25(19)16-22)29(17-18-3-2-4-20(30)13-18)23-8-6-21(31)15-24(23)32-28(29)36/h2-8,13,15-16,26H,9-12,14,17H2,1H3,(H,32,36).

What are the key properties of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[6-methoxy-2-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-1H-indol-2-one?

6-chloro-3-[(3-chlorophenyl)methyl]-3-[6-methoxy-2-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-1H-indol-2-one has a molecular weight of 552.46 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-[(3-chlorophenyl)methyl]-3-[6-methoxy-2-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-1H-indol-2-one is sourced from PubChem (CID 66991680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).