6'-[2-(2-hydroxyethoxy)phenyl]-5-[2-(4-methoxyphenyl)ethynyl]-1',2-dioxo-3',4'-diphenyl-N-(2-pyridin-2-ylethyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide

C51H44N4O7 — CID 5202406

About 6'-[2-(2-hydroxyethoxy)phenyl]-5-[2-(4-methoxyphenyl)ethynyl]-1',2-dioxo-3',4'-diphenyl-N-(2-pyridin-2-ylethyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide

6'-[2-(2-hydroxyethoxy)phenyl]-5-[2-(4-methoxyphenyl)ethynyl]-1',2-dioxo-3',4'-diphenyl-N-(2-pyridin-2-ylethyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide (PubChem CID 5202406) has the molecular formula C51H44N4O7 and a molecular weight of 824.93 g/mol. Its IUPAC name is 6'-[2-(2-hydroxyethoxy)phenyl]-5-[2-(4-methoxyphenyl)ethynyl]-1',2-dioxo-3',4'-diphenyl-N-(2-pyridin-2-ylethyl)spiro[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]-5-[2-(4-methoxyphenyl)ethynyl]-1',2-dioxo-3',4'-diphenyl-N-(2-pyridin-2-ylethyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide
• PubChem CID: 5202406
• Molecular Formula: C51H44N4O7
• Molecular Weight: 824.93 g/mol
• Exact Mass: 824.32
• IUPAC Name: 6'-[2-(2-hydroxyethoxy)phenyl]-5-[2-(4-methoxyphenyl)ethynyl]-1',2-dioxo-3',4'-diphenyl-N-(2-pyridin-2-ylethyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide
• SMILES: COc1ccc(C#Cc2ccc3c(c2)C2(C(=O)N3)C(C(=O)NCCc3ccccn3)C3C(=O)OC(c4ccccc4)C(c4ccccc4)N3C2c2ccccc2OCCO)cc1
• InChI: InChI=1S/C51H44N4O7/c1-60-38-24-21-33(22-25-38)19-20-34-23-26-41-40(32-34)51(50(59)54-41)43(48(57)53-29-27-37-16-10-11-28-52-37)45-49(58)62-46(36-14-6-3-7-15-36)44(35-12-4-2-5-13-35)55(45)47(51)39-17-8-9-18-42(39)61-31-30-56/h2-18,21-26,28,32,43-47,56H,27,29-31H2,1H3,(H,53,57)(H,54,59)
• InChIKey: VLACWAQWXAPKKZ-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 139.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	824.93
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6'-[2-(2-hydroxyethoxy)phenyl]-5-[2-(4-methoxyphenyl)ethynyl]-1',2-dioxo-3',4'-diphenyl-N-(2-pyridin-2-ylethyl)spiro[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]-5-[2-(4-methoxyphenyl)ethynyl]-1',2-dioxo-3',4'-diphenyl-N-(2-pyridin-2-ylethyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide (CID 5202406) is 6'-[2-(2-hydroxyethoxy)phenyl]-5-[2-(4-methoxyphenyl)ethynyl]-1',2-dioxo-3',4'-diphenyl-N-(2-pyridin-2-ylethyl)spiro[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]-5-[2-(4-methoxyphenyl)ethynyl]-1',2-dioxo-3',4'-diphenyl-N-(2-pyridin-2-ylethyl)spiro[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]-5-[2-(4-methoxyphenyl)ethynyl]-1',2-dioxo-3',4'-diphenyl-N-(2-pyridin-2-ylethyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide is COc1ccc(C#Cc2ccc3c(c2)C2(C(=O)N3)C(C(=O)NCCc3ccccn3)C3C(=O)OC(c4ccccc4)C(c4ccccc4)N3C2c2ccccc2OCCO)cc1.

What is the InChIKey of 6'-[2-(2-hydroxyethoxy)phenyl]-5-[2-(4-methoxyphenyl)ethynyl]-1',2-dioxo-3',4'-diphenyl-N-(2-pyridin-2-ylethyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide?

The InChIKey is VLACWAQWXAPKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H44N4O7/c1-60-38-24-21-33(22-25-38)19-20-34-23-26-41-40(32-34)51(50(59)54-41)43(48(57)53-29-27-37-16-10-11-28-52-37)45-49(58)62-46(36-14-6-3-7-15-36)44(35-12-4-2-5-13-35)55(45)47(51)39-17-8-9-18-42(39)61-31-30-56/h2-18,21-26,28,32,43-47,56H,27,29-31H2,1H3,(H,53,57)(H,54,59).

What are the key properties of 6'-[2-(2-hydroxyethoxy)phenyl]-5-[2-(4-methoxyphenyl)ethynyl]-1',2-dioxo-3',4'-diphenyl-N-(2-pyridin-2-ylethyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide?

6'-[2-(2-hydroxyethoxy)phenyl]-5-[2-(4-methoxyphenyl)ethynyl]-1',2-dioxo-3',4'-diphenyl-N-(2-pyridin-2-ylethyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide has a molecular weight of 824.93 g/mol, XLogP of 6.49, 11 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]-5-[2-(4-methoxyphenyl)ethynyl]-1',2-dioxo-3',4'-diphenyl-N-(2-pyridin-2-ylethyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide is sourced from PubChem (CID 5202406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).