1-[1-[2-(hydroxymethyl)phenyl]-7-morpholin-4-ylindolizin-3-yl]ethanone

C21H22N2O3 — CID 127026589

IUPAC1-[1-[2-(hydroxymethyl)phenyl]-7-morpholin-4-ylindolizin-3-yl]ethanone
SMILESCC(=O)c1cc(-c2ccccc2CO)c2cc(N3CCOCC3)ccn12
InChIInChI=1S/C21H22N2O3/c1-15(25)20-13-19(18-5-3-2-4-16(18)14-24)21-12-17(6-7-23(20)21)22-8-10-26-11-9-22/h2-7,12-13,24H,8-11,14H2,1H3
InChIKeyUMHBIHQZTUMFNE-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.14
Rot. Bonds4

About 1-[1-[2-(hydroxymethyl)phenyl]-7-morpholin-4-ylindolizin-3-yl]ethanone

1-[1-[2-(hydroxymethyl)phenyl]-7-morpholin-4-ylindolizin-3-yl]ethanone (PubChem CID 127026589) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[1-[2-(hydroxymethyl)phenyl]-7-morpholin-4-ylindolizin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-(hydroxymethyl)phenyl]-7-morpholin-4-ylindolizin-3-yl]ethanone
PubChem CID127026589
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1-[1-[2-(hydroxymethyl)phenyl]-7-morpholin-4-ylindolizin-3-yl]ethanone
SMILESCC(=O)c1cc(-c2ccccc2CO)c2cc(N3CCOCC3)ccn12
InChIInChI=1S/C21H22N2O3/c1-15(25)20-13-19(18-5-3-2-4-16(18)14-24)21-12-17(6-7-23(20)21)22-8-10-26-11-9-22/h2-7,12-13,24H,8-11,14H2,1H3
InChIKeyUMHBIHQZTUMFNE-UHFFFAOYSA-N
XLogP3.14
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[2-(hydroxymethyl)phenyl]-7-morpholin-4-ylindolizin-3-yl]ethanone 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-[1-[2-(hydroxymethyl)phenyl]-7-morpholin-4-ylindolizin-3-yl]ethanone?
The IUPAC name of 1-[1-[2-(hydroxymethyl)phenyl]-7-morpholin-4-ylindolizin-3-yl]ethanone (CID 127026589) is 1-[1-[2-(hydroxymethyl)phenyl]-7-morpholin-4-ylindolizin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[2-(hydroxymethyl)phenyl]-7-morpholin-4-ylindolizin-3-yl]ethanone?
The canonical SMILES for 1-[1-[2-(hydroxymethyl)phenyl]-7-morpholin-4-ylindolizin-3-yl]ethanone is CC(=O)c1cc(-c2ccccc2CO)c2cc(N3CCOCC3)ccn12.
What is the InChIKey of 1-[1-[2-(hydroxymethyl)phenyl]-7-morpholin-4-ylindolizin-3-yl]ethanone?
The InChIKey is UMHBIHQZTUMFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15(25)20-13-19(18-5-3-2-4-16(18)14-24)21-12-17(6-7-23(20)21)22-8-10-26-11-9-22/h2-7,12-13,24H,8-11,14H2,1H3.
What are the key properties of 1-[1-[2-(hydroxymethyl)phenyl]-7-morpholin-4-ylindolizin-3-yl]ethanone?
1-[1-[2-(hydroxymethyl)phenyl]-7-morpholin-4-ylindolizin-3-yl]ethanone has a molecular weight of 350.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(hydroxymethyl)phenyl]-7-morpholin-4-ylindolizin-3-yl]ethanone is sourced from PubChem (CID 127026589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).