6'-[2-(2-hydroxyethoxy)phenyl]-3',4'-diphenyl-8'-(4-pyrimidin-2-ylpiperazine-1-carbonyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione

C43H40N6O6 — CID 4211087

IUPAC6'-[2-(2-hydroxyethoxy)phenyl]-3',4'-diphenyl-8'-(4-pyrimidin-2-ylpiperazine-1-carbonyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione
SMILESO=C1OC(c2ccccc2)C(c2ccccc2)N2C1C(C(=O)N1CCN(c3ncccn3)CC1)C1(C(=O)Nc3ccccc31)C2c1ccccc1OCCO
InChIInChI=1S/C43H40N6O6/c50-26-27-54-33-19-10-7-16-30(33)38-43(31-17-8-9-18-32(31)46-41(43)53)34(39(51)47-22-24-48(25-23-47)42-44-20-11-21-45-42)36-40(52)55-37(29-14-5-2-6-15-29)35(49(36)38)28-12-3-1-4-13-28/h1-21,34-38,50H,22-27H2,(H,46,53)
InChIKeySEAZVQTXRQGRFP-UHFFFAOYSA-N
MW736.83 g/mol
LogP4.47
Rot. Bonds8

About 6'-[2-(2-hydroxyethoxy)phenyl]-3',4'-diphenyl-8'-(4-pyrimidin-2-ylpiperazine-1-carbonyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione

6'-[2-(2-hydroxyethoxy)phenyl]-3',4'-diphenyl-8'-(4-pyrimidin-2-ylpiperazine-1-carbonyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione (PubChem CID 4211087) has the molecular formula C43H40N6O6 and a molecular weight of 736.83 g/mol. Its IUPAC name is 6'-[2-(2-hydroxyethoxy)phenyl]-3',4'-diphenyl-8'-(4-pyrimidin-2-ylpiperazine-1-carbonyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione.

Molecular Properties

Compound Name6'-[2-(2-hydroxyethoxy)phenyl]-3',4'-diphenyl-8'-(4-pyrimidin-2-ylpiperazine-1-carbonyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione
PubChem CID4211087
Molecular FormulaC43H40N6O6
Molecular Weight736.83 g/mol
Exact Mass736.30
IUPAC Name6'-[2-(2-hydroxyethoxy)phenyl]-3',4'-diphenyl-8'-(4-pyrimidin-2-ylpiperazine-1-carbonyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione
SMILESO=C1OC(c2ccccc2)C(c2ccccc2)N2C1C(C(=O)N1CCN(c3ncccn3)CC1)C1(C(=O)Nc3ccccc31)C2c1ccccc1OCCO
InChIInChI=1S/C43H40N6O6/c50-26-27-54-33-19-10-7-16-30(33)38-43(31-17-8-9-18-32(31)46-41(43)53)34(39(51)47-22-24-48(25-23-47)42-44-20-11-21-45-42)36-40(52)55-37(29-14-5-2-6-15-29)35(49(36)38)28-12-3-1-4-13-28/h1-21,34-38,50H,22-27H2,(H,46,53)
InChIKeySEAZVQTXRQGRFP-UHFFFAOYSA-N
XLogP4.47
TPSA137.43 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500736.83
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6'-[2-(2-hydroxyethoxy)phenyl]-3',4'-diphenyl-8'-(4-pyrimidin-2-ylpiperazine-1-carbonyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6'-[2-(2-hydroxyethoxy)phenyl]-3',4'-diphenyl-8'-(4-pyrimidin-2-ylpiperazine-1-carbonyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione?
The IUPAC name of 6'-[2-(2-hydroxyethoxy)phenyl]-3',4'-diphenyl-8'-(4-pyrimidin-2-ylpiperazine-1-carbonyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione (CID 4211087) is 6'-[2-(2-hydroxyethoxy)phenyl]-3',4'-diphenyl-8'-(4-pyrimidin-2-ylpiperazine-1-carbonyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione.
What is the SMILES notation for 6'-[2-(2-hydroxyethoxy)phenyl]-3',4'-diphenyl-8'-(4-pyrimidin-2-ylpiperazine-1-carbonyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione?
The canonical SMILES for 6'-[2-(2-hydroxyethoxy)phenyl]-3',4'-diphenyl-8'-(4-pyrimidin-2-ylpiperazine-1-carbonyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione is O=C1OC(c2ccccc2)C(c2ccccc2)N2C1C(C(=O)N1CCN(c3ncccn3)CC1)C1(C(=O)Nc3ccccc31)C2c1ccccc1OCCO.
What is the InChIKey of 6'-[2-(2-hydroxyethoxy)phenyl]-3',4'-diphenyl-8'-(4-pyrimidin-2-ylpiperazine-1-carbonyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione?
The InChIKey is SEAZVQTXRQGRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40N6O6/c50-26-27-54-33-19-10-7-16-30(33)38-43(31-17-8-9-18-32(31)46-41(43)53)34(39(51)47-22-24-48(25-23-47)42-44-20-11-21-45-42)36-40(52)55-37(29-14-5-2-6-15-29)35(49(36)38)28-12-3-1-4-13-28/h1-21,34-38,50H,22-27H2,(H,46,53).
What are the key properties of 6'-[2-(2-hydroxyethoxy)phenyl]-3',4'-diphenyl-8'-(4-pyrimidin-2-ylpiperazine-1-carbonyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione?
6'-[2-(2-hydroxyethoxy)phenyl]-3',4'-diphenyl-8'-(4-pyrimidin-2-ylpiperazine-1-carbonyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione has a molecular weight of 736.83 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-[2-(2-hydroxyethoxy)phenyl]-3',4'-diphenyl-8'-(4-pyrimidin-2-ylpiperazine-1-carbonyl)spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione is sourced from PubChem (CID 4211087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).