5-(2-morpholin-4-ylethoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione

C27H26N2O4 — CID 52946502

IUPAC5-(2-morpholin-4-ylethoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(OCCN3CCOCC3)cc21
InChIInChI=1S/C27H26N2O4/c30-26-24-18-23(33-17-14-28-12-15-32-16-13-28)10-11-25(24)29(27(26)31)19-20-6-8-22(9-7-20)21-4-2-1-3-5-21/h1-11,18H,12-17,19H2
InChIKeyDLYUKUIRHGKCIK-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.79
Rot. Bonds7

About 5-(2-morpholin-4-ylethoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione

5-(2-morpholin-4-ylethoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione (PubChem CID 52946502) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is 5-(2-morpholin-4-ylethoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-(2-morpholin-4-ylethoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione
PubChem CID52946502
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name5-(2-morpholin-4-ylethoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(OCCN3CCOCC3)cc21
InChIInChI=1S/C27H26N2O4/c30-26-24-18-23(33-17-14-28-12-15-32-16-13-28)10-11-25(24)29(27(26)31)19-20-6-8-22(9-7-20)21-4-2-1-3-5-21/h1-11,18H,12-17,19H2
InChIKeyDLYUKUIRHGKCIK-UHFFFAOYSA-N
XLogP3.79
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2-morpholin-4-ylethoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

1-((4-Methoxyphenyl)methyl)-5-(trifluoromethoxy)-1H-indole-2,3-dione
CID 42633508
1-(2-Phenoxyethyl)-5-(trifluoromethoxy)indoline-2,3-dione
CID 57525860
5-Benzyloxyisatin
CID 16792980
1-[(4-Phenylphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione
CID 45281794
2-methoxy-7,7-dimethyl-9-(2-propoxyphenyl)-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione
CID 1892804
1-(4-Phenoxybenzyl)-5-(trifluoromethoxy)indoline-2,3-dione
CID 44602489
1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-5-methoxyindole-2,3-dione
CID 17583883
1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethoxyindole-2,3-dione
CID 17584476
6-[4-[2-(Dimethylamino)ethoxy]phenyl]-3,9-dihydroxyindeno[1,2-c]isoquinoline-5,11-dione
CID 46190225
5-(3-Methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione
CID 141372228
5-(4-Methoxyphenyl)-1-(2-phenoxyethyl)indole-2,3-dione
CID 141372271
5-(4-Methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione
CID 141372279

Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-ylethoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione?
The IUPAC name of 5-(2-morpholin-4-ylethoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione (CID 52946502) is 5-(2-morpholin-4-ylethoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-(2-morpholin-4-ylethoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione?
The canonical SMILES for 5-(2-morpholin-4-ylethoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione is O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(OCCN3CCOCC3)cc21.
What is the InChIKey of 5-(2-morpholin-4-ylethoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione?
The InChIKey is DLYUKUIRHGKCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c30-26-24-18-23(33-17-14-28-12-15-32-16-13-28)10-11-25(24)29(27(26)31)19-20-6-8-22(9-7-20)21-4-2-1-3-5-21/h1-11,18H,12-17,19H2.
What are the key properties of 5-(2-morpholin-4-ylethoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione?
5-(2-morpholin-4-ylethoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione has a molecular weight of 442.52 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-ylethoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 52946502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).