3-[6-hydroxy-1-[3-(methylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

C24H22N4O3 — CID 22410250

IUPAC3-[6-hydroxy-1-[3-(methylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCNCCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccc(O)cc21
InChIInChI=1S/C24H22N4O3/c1-25-9-4-10-28-13-18(16-8-7-14(29)11-20(16)28)22-21(23(30)27-24(22)31)17-12-26-19-6-3-2-5-15(17)19/h2-3,5-8,11-13,25-26,29H,4,9-10H2,1H3,(H,27,30,31)
InChIKeyWZATZOHUDNMFEK-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.00
Rot. Bonds6

About 3-[6-hydroxy-1-[3-(methylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

3-[6-hydroxy-1-[3-(methylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 22410250) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3-[6-hydroxy-1-[3-(methylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[6-hydroxy-1-[3-(methylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID22410250
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name3-[6-hydroxy-1-[3-(methylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCNCCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccc(O)cc21
InChIInChI=1S/C24H22N4O3/c1-25-9-4-10-28-13-18(16-8-7-14(29)11-20(16)28)22-21(23(30)27-24(22)31)17-12-26-19-6-3-2-5-15(17)19/h2-3,5-8,11-13,25-26,29H,4,9-10H2,1H3,(H,27,30,31)
InChIKeyWZATZOHUDNMFEK-UHFFFAOYSA-N
XLogP3.00
TPSA99.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-indol-3-yl)-4-[6-methyl-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione
CID 22410599
3-[1-[3-(diethylamino)propyl]-6-hydroxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410556
3-(1H-indol-3-yl)-4-[5-methoxy-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione
CID 22410625
3-[1-(2-aminoethyl)-5-hydroxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410386
3-[5-hydroxy-1-(3-isothiocyanatopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410190
3-[6-fluoro-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410487
3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]-7-(trifluoromethyl)indol-3-yl]pyrrole-2,5-dione
CID 22410411
3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 5327725
3-[1-(3-aminopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 16760314
N-[1-[3-(diethylamino)propyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide
CID 22410287
3-[1-[3-(methylamino)propyl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 18780255
3-[1-[3-(ethylamino)propyl]-5-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410496

Frequently Asked Questions

What is the IUPAC name of 3-[6-hydroxy-1-[3-(methylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[6-hydroxy-1-[3-(methylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 22410250) is 3-[6-hydroxy-1-[3-(methylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[6-hydroxy-1-[3-(methylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[6-hydroxy-1-[3-(methylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is CNCCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccc(O)cc21.
What is the InChIKey of 3-[6-hydroxy-1-[3-(methylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is WZATZOHUDNMFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-25-9-4-10-28-13-18(16-8-7-14(29)11-20(16)28)22-21(23(30)27-24(22)31)17-12-26-19-6-3-2-5-15(17)19/h2-3,5-8,11-13,25-26,29H,4,9-10H2,1H3,(H,27,30,31).
What are the key properties of 3-[6-hydroxy-1-[3-(methylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[6-hydroxy-1-[3-(methylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 414.47 g/mol, XLogP of 3.00, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-hydroxy-1-[3-(methylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22410250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).