3-[5-amino-2-(morpholine-4-carbonyl)anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one

C26H24Cl2N4O3 — CID 89067918

About 3-[5-amino-2-(morpholine-4-carbonyl)anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one

3-[5-amino-2-(morpholine-4-carbonyl)anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one (PubChem CID 89067918) has the molecular formula C26H24Cl2N4O3 and a molecular weight of 511.41 g/mol. Its IUPAC name is 3-[5-amino-2-(morpholine-4-carbonyl)anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one.

Molecular Properties

• Compound Name: 3-[5-amino-2-(morpholine-4-carbonyl)anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one
• PubChem CID: 89067918
• Molecular Formula: C26H24Cl2N4O3
• Molecular Weight: 511.41 g/mol
• Exact Mass: 510.12
• IUPAC Name: 3-[5-amino-2-(morpholine-4-carbonyl)anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one
• SMILES: Nc1ccc(C(=O)N2CCOCC2)c(NC2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)c1
• InChI: InChI=1S/C26H24Cl2N4O3/c27-17-3-1-2-16(12-17)15-26(21-7-4-18(28)13-23(21)30-25(26)34)31-22-14-19(29)5-6-20(22)24(33)32-8-10-35-11-9-32/h1-7,12-14,31H,8-11,15,29H2,(H,30,34)
• InChIKey: NEHLGJZNKJBFRZ-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 96.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.41
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-2-(morpholine-4-carbonyl)anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one?

The IUPAC name of 3-[5-amino-2-(morpholine-4-carbonyl)anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one (CID 89067918) is 3-[5-amino-2-(morpholine-4-carbonyl)anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one.

What is the SMILES notation for 3-[5-amino-2-(morpholine-4-carbonyl)anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one?

The canonical SMILES for 3-[5-amino-2-(morpholine-4-carbonyl)anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one is Nc1ccc(C(=O)N2CCOCC2)c(NC2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)c1.

What is the InChIKey of 3-[5-amino-2-(morpholine-4-carbonyl)anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one?

The InChIKey is NEHLGJZNKJBFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N4O3/c27-17-3-1-2-16(12-17)15-26(21-7-4-18(28)13-23(21)30-25(26)34)31-22-14-19(29)5-6-20(22)24(33)32-8-10-35-11-9-32/h1-7,12-14,31H,8-11,15,29H2,(H,30,34).

What are the key properties of 3-[5-amino-2-(morpholine-4-carbonyl)anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one?

3-[5-amino-2-(morpholine-4-carbonyl)anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one has a molecular weight of 511.41 g/mol, XLogP of 4.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-amino-2-(morpholine-4-carbonyl)anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one is sourced from PubChem (CID 89067918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).