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

C24H21ClN4O4 — CID 141025474

IUPAC10-[2-(4-chloro-1H-indol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione
SMILESO=C1OC2(CN(c3cccc4[nH]ccc34)CCN2CCc2c[nH]c3cccc(Cl)c23)OC1=O
InChIInChI=1S/C24H21ClN4O4/c25-17-3-1-5-19-21(17)15(13-27-19)8-10-29-12-11-28(14-24(29)32-22(30)23(31)33-24)20-6-2-4-18-16(20)7-9-26-18/h1-7,9,13,26-27H,8,10-12,14H2
InChIKeySBSMBVSKWSOIPX-UHFFFAOYSA-N
MW464.91 g/mol
LogP3.42
Rot. Bonds4

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

10-[2-(4-chloro-1H-indol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione (PubChem CID 141025474) has the molecular formula C24H21ClN4O4 and a molecular weight of 464.91 g/mol. Its IUPAC name is 10-[2-(4-chloro-1H-indol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione.

Molecular Properties

Compound Name10-[2-(4-chloro-1H-indol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione
PubChem CID141025474
Molecular FormulaC24H21ClN4O4
Molecular Weight464.91 g/mol
Exact Mass464.13
IUPAC Name10-[2-(4-chloro-1H-indol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione
SMILESO=C1OC2(CN(c3cccc4[nH]ccc34)CCN2CCc2c[nH]c3cccc(Cl)c23)OC1=O
InChIInChI=1S/C24H21ClN4O4/c25-17-3-1-5-19-21(17)15(13-27-19)8-10-29-12-11-28(14-24(29)32-22(30)23(31)33-24)20-6-2-4-18-16(20)7-9-26-18/h1-7,9,13,26-27H,8,10-12,14H2
InChIKeySBSMBVSKWSOIPX-UHFFFAOYSA-N
XLogP3.42
TPSA90.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.91
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 10-[2-(4-chloro-1H-indol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(4-chloro-1H-indol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione?
The IUPAC name of 10-[2-(4-chloro-1H-indol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione (CID 141025474) is 10-[2-(4-chloro-1H-indol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione.
What is the SMILES notation for 10-[2-(4-chloro-1H-indol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione?
The canonical SMILES for 10-[2-(4-chloro-1H-indol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione is O=C1OC2(CN(c3cccc4[nH]ccc34)CCN2CCc2c[nH]c3cccc(Cl)c23)OC1=O.
What is the InChIKey of 10-[2-(4-chloro-1H-indol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione?
The InChIKey is SBSMBVSKWSOIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O4/c25-17-3-1-5-19-21(17)15(13-27-19)8-10-29-12-11-28(14-24(29)32-22(30)23(31)33-24)20-6-2-4-18-16(20)7-9-26-18/h1-7,9,13,26-27H,8,10-12,14H2.
What are the key properties of 10-[2-(4-chloro-1H-indol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione?
10-[2-(4-chloro-1H-indol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione has a molecular weight of 464.91 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(4-chloro-1H-indol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione is sourced from PubChem (CID 141025474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).