1-(1-benzylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione

C21H20N2O3 — CID 2974537

IUPAC1-(1-benzylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCOCC1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C21H20N2O3/c24-20(21(25)22-10-12-26-13-11-22)18-15-23(14-16-6-2-1-3-7-16)19-9-5-4-8-17(18)19/h1-9,15H,10-14H2
InChIKeyKAAGRDKCARTUQU-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.73
Rot. Bonds4

About 1-(1-benzylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione

1-(1-benzylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione (PubChem CID 2974537) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-(1-benzylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(1-benzylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione
PubChem CID2974537
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name1-(1-benzylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCOCC1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C21H20N2O3/c24-20(21(25)22-10-12-26-13-11-22)18-15-23(14-16-6-2-1-3-7-16)19-9-5-4-8-17(18)19/h1-9,15H,10-14H2
InChIKeyKAAGRDKCARTUQU-UHFFFAOYSA-N
XLogP2.73
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione?
The IUPAC name of 1-(1-benzylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione (CID 2974537) is 1-(1-benzylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-(1-benzylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione?
The canonical SMILES for 1-(1-benzylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione is O=C(C(=O)N1CCOCC1)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-(1-benzylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione?
The InChIKey is KAAGRDKCARTUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-20(21(25)22-10-12-26-13-11-22)18-15-23(14-16-6-2-1-3-7-16)19-9-5-4-8-17(18)19/h1-9,15H,10-14H2.
What are the key properties of 1-(1-benzylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione?
1-(1-benzylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 348.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 2974537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).