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

C21H20N2O3 — CID 5296340

IUPAC1-(1-methyl-2-phenylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione
SMILESCn1c(-c2ccccc2)c(C(=O)C(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C21H20N2O3/c1-22-17-10-6-5-9-16(17)18(19(22)15-7-3-2-4-8-15)20(24)21(25)23-11-13-26-14-12-23/h2-10H,11-14H2,1H3
InChIKeyZBPMWMQYQVAZAB-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.89
Rot. Bonds3

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

1-(1-methyl-2-phenylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione (PubChem CID 5296340) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-(1-methyl-2-phenylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(1-methyl-2-phenylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione
PubChem CID5296340
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name1-(1-methyl-2-phenylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione
SMILESCn1c(-c2ccccc2)c(C(=O)C(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C21H20N2O3/c1-22-17-10-6-5-9-16(17)18(19(22)15-7-3-2-4-8-15)20(24)21(25)23-11-13-26-14-12-23/h2-10H,11-14H2,1H3
InChIKeyZBPMWMQYQVAZAB-UHFFFAOYSA-N
XLogP2.89
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.89
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-methyl-2-phenylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione?
The IUPAC name of 1-(1-methyl-2-phenylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione (CID 5296340) is 1-(1-methyl-2-phenylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-(1-methyl-2-phenylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione?
The canonical SMILES for 1-(1-methyl-2-phenylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione is Cn1c(-c2ccccc2)c(C(=O)C(=O)N2CCOCC2)c2ccccc21.
What is the InChIKey of 1-(1-methyl-2-phenylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione?
The InChIKey is ZBPMWMQYQVAZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-22-17-10-6-5-9-16(17)18(19(22)15-7-3-2-4-8-15)20(24)21(25)23-11-13-26-14-12-23/h2-10H,11-14H2,1H3.
What are the key properties of 1-(1-methyl-2-phenylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione?
1-(1-methyl-2-phenylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 348.40 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-phenylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 5296340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).