3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

C34H32N4O5 — CID 18947110

IUPAC3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CC(O)CN3CCOCC3)c3cc(OCc4ccccc4)ccc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C34H32N4O5/c39-23(18-37-12-14-42-15-13-37)19-38-20-28(26-11-10-24(16-30(26)38)43-21-22-6-2-1-3-7-22)32-31(33(40)36-34(32)41)27-17-35-29-9-5-4-8-25(27)29/h1-11,16-17,20,23,35,39H,12-15,18-19,21H2,(H,36,40,41)
InChIKeyGJHWFHPCCPCNFB-UHFFFAOYSA-N
MW576.65 g/mol
LogP3.96
Rot. Bonds9

About 3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 18947110) has the molecular formula C34H32N4O5 and a molecular weight of 576.65 g/mol. Its IUPAC name is 3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID18947110
Molecular FormulaC34H32N4O5
Molecular Weight576.65 g/mol
Exact Mass576.24
IUPAC Name3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CC(O)CN3CCOCC3)c3cc(OCc4ccccc4)ccc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C34H32N4O5/c39-23(18-37-12-14-42-15-13-37)19-38-20-28(26-11-10-24(16-30(26)38)43-21-22-6-2-1-3-7-22)32-31(33(40)36-34(32)41)27-17-35-29-9-5-4-8-25(27)29/h1-11,16-17,20,23,35,39H,12-15,18-19,21H2,(H,36,40,41)
InChIKeyGJHWFHPCCPCNFB-UHFFFAOYSA-N
XLogP3.96
TPSA108.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.65
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 18947110) is 3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is O=C1NC(=O)C(c2cn(CC(O)CN3CCOCC3)c3cc(OCc4ccccc4)ccc23)=C1c1c[nH]c2ccccc12.
What is the InChIKey of 3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is GJHWFHPCCPCNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N4O5/c39-23(18-37-12-14-42-15-13-37)19-38-20-28(26-11-10-24(16-30(26)38)43-21-22-6-2-1-3-7-22)32-31(33(40)36-34(32)41)27-17-35-29-9-5-4-8-25(27)29/h1-11,16-17,20,23,35,39H,12-15,18-19,21H2,(H,36,40,41).
What are the key properties of 3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 576.65 g/mol, XLogP of 3.96, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 18947110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).