N-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1-(3-morpholin-4-ylpropyl)indol-7-yl]acetamide

C29H29N5O4 — CID 22410598

IUPACN-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1-(3-morpholin-4-ylpropyl)indol-7-yl]acetamide
SMILESCC(=O)Nc1cccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)cn(CCCN3CCOCC3)c12
InChIInChI=1S/C29H29N5O4/c1-18(35)31-24-9-4-7-20-22(17-34(27(20)24)11-5-10-33-12-14-38-15-13-33)26-25(28(36)32-29(26)37)21-16-30-23-8-3-2-6-19(21)23/h2-4,6-9,16-17,30H,5,10-15H2,1H3,(H,31,35)(H,32,36,37)
InChIKeyWRRQANWOJWYDHL-UHFFFAOYSA-N
MW511.58 g/mol
LogP3.37
Rot. Bonds7

About N-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1-(3-morpholin-4-ylpropyl)indol-7-yl]acetamide

N-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1-(3-morpholin-4-ylpropyl)indol-7-yl]acetamide (PubChem CID 22410598) has the molecular formula C29H29N5O4 and a molecular weight of 511.58 g/mol. Its IUPAC name is N-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1-(3-morpholin-4-ylpropyl)indol-7-yl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1-(3-morpholin-4-ylpropyl)indol-7-yl]acetamide
PubChem CID22410598
Molecular FormulaC29H29N5O4
Molecular Weight511.58 g/mol
Exact Mass511.22
IUPAC NameN-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1-(3-morpholin-4-ylpropyl)indol-7-yl]acetamide
SMILESCC(=O)Nc1cccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)cn(CCCN3CCOCC3)c12
InChIInChI=1S/C29H29N5O4/c1-18(35)31-24-9-4-7-20-22(17-34(27(20)24)11-5-10-33-12-14-38-15-13-33)26-25(28(36)32-29(26)37)21-16-30-23-8-3-2-6-19(21)23/h2-4,6-9,16-17,30H,5,10-15H2,1H3,(H,31,35)(H,32,36,37)
InChIKeyWRRQANWOJWYDHL-UHFFFAOYSA-N
XLogP3.37
TPSA108.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.58
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-indol-3-yl)-4-[5-methylsulfanyl-1-(3-morpholin-4-ylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 22410424
N-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1-(3-piperidin-1-ylpropyl)indol-6-yl]acetamide
CID 22410654
3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)-4-phenylmethoxyindol-3-yl]pyrrole-2,5-dione
CID 22410665
3-[7-(dimethylamino)-1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410318
3-(1H-indol-3-yl)-4-[8-(3-piperidin-1-ylpropyl)-[1,3]dioxolo[4,5-g]indol-6-yl]pyrrole-2,5-dione
CID 22410061
3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]-7-(trifluoromethyl)indol-3-yl]pyrrole-2,5-dione
CID 22410411
3-[6-fluoro-1-(3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410486
3-(1H-indol-3-yl)-4-[5-methoxy-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 15106759
N-[1-[3-(diethylamino)propyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide
CID 22410287
3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)-4-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409435
3-[6-hydroxy-1-[3-(methylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410250
N-[1-[2-(dimethylamino)ethyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide
CID 22410110

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1-(3-morpholin-4-ylpropyl)indol-7-yl]acetamide?
The IUPAC name of N-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1-(3-morpholin-4-ylpropyl)indol-7-yl]acetamide (CID 22410598) is N-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1-(3-morpholin-4-ylpropyl)indol-7-yl]acetamide.
What is the SMILES notation for N-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1-(3-morpholin-4-ylpropyl)indol-7-yl]acetamide?
The canonical SMILES for N-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1-(3-morpholin-4-ylpropyl)indol-7-yl]acetamide is CC(=O)Nc1cccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)cn(CCCN3CCOCC3)c12.
What is the InChIKey of N-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1-(3-morpholin-4-ylpropyl)indol-7-yl]acetamide?
The InChIKey is WRRQANWOJWYDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O4/c1-18(35)31-24-9-4-7-20-22(17-34(27(20)24)11-5-10-33-12-14-38-15-13-33)26-25(28(36)32-29(26)37)21-16-30-23-8-3-2-6-19(21)23/h2-4,6-9,16-17,30H,5,10-15H2,1H3,(H,31,35)(H,32,36,37).
What are the key properties of N-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1-(3-morpholin-4-ylpropyl)indol-7-yl]acetamide?
N-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1-(3-morpholin-4-ylpropyl)indol-7-yl]acetamide has a molecular weight of 511.58 g/mol, XLogP of 3.37, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1-(3-morpholin-4-ylpropyl)indol-7-yl]acetamide is sourced from PubChem (CID 22410598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).