6'-[2-(2-hydroxyethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)-1',2-dioxo-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide

C45H42N4O7 — CID 4211084

About 6'-[2-(2-hydroxyethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)-1',2-dioxo-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide

6'-[2-(2-hydroxyethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)-1',2-dioxo-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide (PubChem CID 4211084) has the molecular formula C45H42N4O7 and a molecular weight of 750.85 g/mol. Its IUPAC name is 6'-[2-(2-hydroxyethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)-1',2-dioxo-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide.

Molecular Properties

• Compound Name: 6'-[2-(2-hydroxyethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)-1',2-dioxo-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide
• PubChem CID: 4211084
• Molecular Formula: C45H42N4O7
• Molecular Weight: 750.85 g/mol
• Exact Mass: 750.31
• IUPAC Name: 6'-[2-(2-hydroxyethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)-1',2-dioxo-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide
• SMILES: O=C1OC(c2ccccc2)C(c2ccccc2)N2C1C(C(=O)Nc1ccc(N3CCOCC3)cc1)C1(C(=O)Nc3ccccc31)C2c1ccccc1OCCO
• InChI: InChI=1S/C45H42N4O7/c50-25-28-55-36-18-10-7-15-33(36)41-45(34-16-8-9-17-35(34)47-44(45)53)37(42(51)46-31-19-21-32(22-20-31)48-23-26-54-27-24-48)39-43(52)56-40(30-13-5-2-6-14-30)38(49(39)41)29-11-3-1-4-12-29/h1-22,37-41,50H,23-28H2,(H,46,51)(H,47,53)
• InChIKey: ATJGMOLBIUZTRX-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 129.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.85
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6'-[2-(2-hydroxyethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)-1',2-dioxo-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide?

The IUPAC name of 6'-[2-(2-hydroxyethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)-1',2-dioxo-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide (CID 4211084) is 6'-[2-(2-hydroxyethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)-1',2-dioxo-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide.

What is the SMILES notation for 6'-[2-(2-hydroxyethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)-1',2-dioxo-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide?

The canonical SMILES for 6'-[2-(2-hydroxyethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)-1',2-dioxo-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide is O=C1OC(c2ccccc2)C(c2ccccc2)N2C1C(C(=O)Nc1ccc(N3CCOCC3)cc1)C1(C(=O)Nc3ccccc31)C2c1ccccc1OCCO.

What is the InChIKey of 6'-[2-(2-hydroxyethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)-1',2-dioxo-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide?

The InChIKey is ATJGMOLBIUZTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H42N4O7/c50-25-28-55-36-18-10-7-15-33(36)41-45(34-16-8-9-17-35(34)47-44(45)53)37(42(51)46-31-19-21-32(22-20-31)48-23-26-54-27-24-48)39-43(52)56-40(30-13-5-2-6-14-30)38(49(39)41)29-11-3-1-4-12-29/h1-22,37-41,50H,23-28H2,(H,46,51)(H,47,53).

What are the key properties of 6'-[2-(2-hydroxyethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)-1',2-dioxo-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide?

6'-[2-(2-hydroxyethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)-1',2-dioxo-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide has a molecular weight of 750.85 g/mol, XLogP of 5.80, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6'-[2-(2-hydroxyethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)-1',2-dioxo-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide is sourced from PubChem (CID 4211084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).