3-[7-(dimethylamino)-1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

C29H31N5O4 — CID 22410318

IUPAC3-[7-(dimethylamino)-1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCN(C)c1cccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)cn(CC(O)CN3CCOCC3)c12
InChIInChI=1S/C29H31N5O4/c1-32(2)24-9-5-7-20-22(17-34(27(20)24)16-18(35)15-33-10-12-38-13-11-33)26-25(28(36)31-29(26)37)21-14-30-23-8-4-3-6-19(21)23/h3-9,14,17-18,30,35H,10-13,15-16H2,1-2H3,(H,31,36,37)
InChIKeyGTQGFFWTISVYJS-UHFFFAOYSA-N
MW513.60 g/mol
LogP2.45
Rot. Bonds7

About 3-[7-(dimethylamino)-1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

3-[7-(dimethylamino)-1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 22410318) has the molecular formula C29H31N5O4 and a molecular weight of 513.60 g/mol. Its IUPAC name is 3-[7-(dimethylamino)-1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[7-(dimethylamino)-1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID22410318
Molecular FormulaC29H31N5O4
Molecular Weight513.60 g/mol
Exact Mass513.24
IUPAC Name3-[7-(dimethylamino)-1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCN(C)c1cccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)cn(CC(O)CN3CCOCC3)c12
InChIInChI=1S/C29H31N5O4/c1-32(2)24-9-5-7-20-22(17-34(27(20)24)16-18(35)15-33-10-12-38-13-11-33)26-25(28(36)31-29(26)37)21-14-30-23-8-4-3-6-19(21)23/h3-9,14,17-18,30,35H,10-13,15-16H2,1-2H3,(H,31,36,37)
InChIKeyGTQGFFWTISVYJS-UHFFFAOYSA-N
XLogP2.45
TPSA102.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.60
LogP ≤ 52.45
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-[7-(dimethylamino)-1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[7-(dimethylamino)-1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 22410318) is 3-[7-(dimethylamino)-1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[7-(dimethylamino)-1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[7-(dimethylamino)-1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is CN(C)c1cccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)cn(CC(O)CN3CCOCC3)c12.
What is the InChIKey of 3-[7-(dimethylamino)-1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is GTQGFFWTISVYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O4/c1-32(2)24-9-5-7-20-22(17-34(27(20)24)16-18(35)15-33-10-12-38-13-11-33)26-25(28(36)31-29(26)37)21-14-30-23-8-4-3-6-19(21)23/h3-9,14,17-18,30,35H,10-13,15-16H2,1-2H3,(H,31,36,37).
What are the key properties of 3-[7-(dimethylamino)-1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[7-(dimethylamino)-1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 513.60 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(dimethylamino)-1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22410318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).