3-[1-[3-(dimethylamino)propyl]-6,7-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

C27H28N4O4 — CID 22409410

IUPAC3-[1-[3-(dimethylamino)propyl]-6,7-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCOc1ccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)cn(CCCN(C)C)c2c1OC
InChIInChI=1S/C27H28N4O4/c1-30(2)12-7-13-31-15-19(17-10-11-21(34-3)25(35-4)24(17)31)23-22(26(32)29-27(23)33)18-14-28-20-9-6-5-8-16(18)20/h5-6,8-11,14-15,28H,7,12-13H2,1-4H3,(H,29,32,33)
InChIKeyVAPCOPFMDOZKCC-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.66
Rot. Bonds8

About 3-[1-[3-(dimethylamino)propyl]-6,7-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

3-[1-[3-(dimethylamino)propyl]-6,7-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 22409410) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is 3-[1-[3-(dimethylamino)propyl]-6,7-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-[3-(dimethylamino)propyl]-6,7-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID22409410
Molecular FormulaC27H28N4O4
Molecular Weight472.55 g/mol
Exact Mass472.21
IUPAC Name3-[1-[3-(dimethylamino)propyl]-6,7-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCOc1ccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)cn(CCCN(C)C)c2c1OC
InChIInChI=1S/C27H28N4O4/c1-30(2)12-7-13-31-15-19(17-10-11-21(34-3)25(35-4)24(17)31)23-22(26(32)29-27(23)33)18-14-28-20-9-6-5-8-16(18)20/h5-6,8-11,14-15,28H,7,12-13H2,1-4H3,(H,29,32,33)
InChIKeyVAPCOPFMDOZKCC-UHFFFAOYSA-N
XLogP3.66
TPSA88.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[3-(diethylamino)propyl]-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409408
3-(5,6-dimethoxy-1H-indol-3-yl)-4-[1-[3-(dimethylamino)propyl]-5,6-dimethoxyindol-3-yl]pyrrole-2,5-dione
CID 22410220
3-[1-[3-(diethylamino)propyl]-7-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409374
3-[6-amino-1-[2-(dimethylamino)ethyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410652
3-[5-bromo-1-[2-(dimethylamino)ethyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409275
3-[7-(dimethylamino)-1-(3-isothiocyanatopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410623
3-[1-[2-(dimethylamino)ethyl]-6-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409890
3-[1-(2,3-dihydroxypropyl)-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409400
3-[1-[3-(diethylamino)propyl]-6-hydroxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410556
3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]pyrrole-2,5-dione
CID 25028895
3-[1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410004
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 3-[1-[3-(dimethylamino)propyl]-6,7-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-[3-(dimethylamino)propyl]-6,7-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 22409410) is 3-[1-[3-(dimethylamino)propyl]-6,7-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-[3-(dimethylamino)propyl]-6,7-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-[3-(dimethylamino)propyl]-6,7-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is COc1ccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)cn(CCCN(C)C)c2c1OC.
What is the InChIKey of 3-[1-[3-(dimethylamino)propyl]-6,7-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is VAPCOPFMDOZKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4/c1-30(2)12-7-13-31-15-19(17-10-11-21(34-3)25(35-4)24(17)31)23-22(26(32)29-27(23)33)18-14-28-20-9-6-5-8-16(18)20/h5-6,8-11,14-15,28H,7,12-13H2,1-4H3,(H,29,32,33).
What are the key properties of 3-[1-[3-(dimethylamino)propyl]-6,7-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[1-[3-(dimethylamino)propyl]-6,7-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 472.55 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(dimethylamino)propyl]-6,7-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22409410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).