[1-benzyl-5-hydroxy-2-(4-methoxyphenyl)indol-3-yl]-morpholin-4-ylmethanone

C27H26N2O4 — CID 134849533

IUPAC[1-benzyl-5-hydroxy-2-(4-methoxyphenyl)indol-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2c(C(=O)N3CCOCC3)c3cc(O)ccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C27H26N2O4/c1-32-22-10-7-20(8-11-22)26-25(27(31)28-13-15-33-16-14-28)23-17-21(30)9-12-24(23)29(26)18-19-5-3-2-4-6-19/h2-12,17,30H,13-16,18H2,1H3
InChIKeyWJPIBOKNLOKGII-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.54
Rot. Bonds5

About [1-benzyl-5-hydroxy-2-(4-methoxyphenyl)indol-3-yl]-morpholin-4-ylmethanone

[1-benzyl-5-hydroxy-2-(4-methoxyphenyl)indol-3-yl]-morpholin-4-ylmethanone (PubChem CID 134849533) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is [1-benzyl-5-hydroxy-2-(4-methoxyphenyl)indol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-benzyl-5-hydroxy-2-(4-methoxyphenyl)indol-3-yl]-morpholin-4-ylmethanone
PubChem CID134849533
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name[1-benzyl-5-hydroxy-2-(4-methoxyphenyl)indol-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2c(C(=O)N3CCOCC3)c3cc(O)ccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C27H26N2O4/c1-32-22-10-7-20(8-11-22)26-25(27(31)28-13-15-33-16-14-28)23-17-21(30)9-12-24(23)29(26)18-19-5-3-2-4-6-19/h2-12,17,30H,13-16,18H2,1H3
InChIKeyWJPIBOKNLOKGII-UHFFFAOYSA-N
XLogP4.54
TPSA63.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-benzyl-5-hydroxy-2-(4-methoxyphenyl)indol-3-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-5-hydroxy-2-(4-methoxyphenyl)indol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-benzyl-5-hydroxy-2-(4-methoxyphenyl)indol-3-yl]-morpholin-4-ylmethanone (CID 134849533) is [1-benzyl-5-hydroxy-2-(4-methoxyphenyl)indol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-benzyl-5-hydroxy-2-(4-methoxyphenyl)indol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-benzyl-5-hydroxy-2-(4-methoxyphenyl)indol-3-yl]-morpholin-4-ylmethanone is COc1ccc(-c2c(C(=O)N3CCOCC3)c3cc(O)ccc3n2Cc2ccccc2)cc1.
What is the InChIKey of [1-benzyl-5-hydroxy-2-(4-methoxyphenyl)indol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is WJPIBOKNLOKGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-32-22-10-7-20(8-11-22)26-25(27(31)28-13-15-33-16-14-28)23-17-21(30)9-12-24(23)29(26)18-19-5-3-2-4-6-19/h2-12,17,30H,13-16,18H2,1H3.
What are the key properties of [1-benzyl-5-hydroxy-2-(4-methoxyphenyl)indol-3-yl]-morpholin-4-ylmethanone?
[1-benzyl-5-hydroxy-2-(4-methoxyphenyl)indol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 442.52 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-5-hydroxy-2-(4-methoxyphenyl)indol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 134849533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).