7-(1H-indol-4-yl)-10-[4-(1H-indol-3-yl)butyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione

C26H26N4O4 — CID 141025467

IUPAC7-(1H-indol-4-yl)-10-[4-(1H-indol-3-yl)butyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione
SMILESO=C1OC2(CN(c3cccc4[nH]ccc34)CCN2CCCCc2c[nH]c3ccccc23)OC1=O
InChIInChI=1S/C26H26N4O4/c31-24-25(32)34-26(33-24)17-29(23-10-5-9-22-20(23)11-12-27-22)14-15-30(26)13-4-3-6-18-16-28-21-8-2-1-7-19(18)21/h1-2,5,7-12,16,27-28H,3-4,6,13-15,17H2
InChIKeyRIDQAAXGORCKSV-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.55
Rot. Bonds6

About 7-(1H-indol-4-yl)-10-[4-(1H-indol-3-yl)butyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione

7-(1H-indol-4-yl)-10-[4-(1H-indol-3-yl)butyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione (PubChem CID 141025467) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 7-(1H-indol-4-yl)-10-[4-(1H-indol-3-yl)butyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione.

Molecular Properties

Compound Name7-(1H-indol-4-yl)-10-[4-(1H-indol-3-yl)butyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione
PubChem CID141025467
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name7-(1H-indol-4-yl)-10-[4-(1H-indol-3-yl)butyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione
SMILESO=C1OC2(CN(c3cccc4[nH]ccc34)CCN2CCCCc2c[nH]c3ccccc23)OC1=O
InChIInChI=1S/C26H26N4O4/c31-24-25(32)34-26(33-24)17-29(23-10-5-9-22-20(23)11-12-27-22)14-15-30(26)13-4-3-6-18-16-28-21-8-2-1-7-19(18)21/h1-2,5,7-12,16,27-28H,3-4,6,13-15,17H2
InChIKeyRIDQAAXGORCKSV-UHFFFAOYSA-N
XLogP3.55
TPSA90.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(1H-indol-4-yl)-10-[4-(1H-indol-3-yl)butyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione?
The IUPAC name of 7-(1H-indol-4-yl)-10-[4-(1H-indol-3-yl)butyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione (CID 141025467) is 7-(1H-indol-4-yl)-10-[4-(1H-indol-3-yl)butyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione.
What is the SMILES notation for 7-(1H-indol-4-yl)-10-[4-(1H-indol-3-yl)butyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione?
The canonical SMILES for 7-(1H-indol-4-yl)-10-[4-(1H-indol-3-yl)butyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione is O=C1OC2(CN(c3cccc4[nH]ccc34)CCN2CCCCc2c[nH]c3ccccc23)OC1=O.
What is the InChIKey of 7-(1H-indol-4-yl)-10-[4-(1H-indol-3-yl)butyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione?
The InChIKey is RIDQAAXGORCKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c31-24-25(32)34-26(33-24)17-29(23-10-5-9-22-20(23)11-12-27-22)14-15-30(26)13-4-3-6-18-16-28-21-8-2-1-7-19(18)21/h1-2,5,7-12,16,27-28H,3-4,6,13-15,17H2.
What are the key properties of 7-(1H-indol-4-yl)-10-[4-(1H-indol-3-yl)butyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione?
7-(1H-indol-4-yl)-10-[4-(1H-indol-3-yl)butyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione has a molecular weight of 458.52 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-indol-4-yl)-10-[4-(1H-indol-3-yl)butyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione is sourced from PubChem (CID 141025467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).