2-methyl-2-(3-morpholin-4-ylpropyl)-3H-chromen-4-one

C17H23NO3 — CID 23465608

IUPAC2-methyl-2-(3-morpholin-4-ylpropyl)-3H-chromen-4-one
SMILESCC1(CCCN2CCOCC2)CC(=O)c2ccccc2O1
InChIInChI=1S/C17H23NO3/c1-17(7-4-8-18-9-11-20-12-10-18)13-15(19)14-5-2-3-6-16(14)21-17/h2-3,5-6H,4,7-13H2,1H3
InChIKeyZHWHEPDUZYGYRQ-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.52
Rot. Bonds4

About 2-methyl-2-(3-morpholin-4-ylpropyl)-3H-chromen-4-one

2-methyl-2-(3-morpholin-4-ylpropyl)-3H-chromen-4-one (PubChem CID 23465608) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-methyl-2-(3-morpholin-4-ylpropyl)-3H-chromen-4-one.

Molecular Properties

Compound Name2-methyl-2-(3-morpholin-4-ylpropyl)-3H-chromen-4-one
PubChem CID23465608
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name2-methyl-2-(3-morpholin-4-ylpropyl)-3H-chromen-4-one
SMILESCC1(CCCN2CCOCC2)CC(=O)c2ccccc2O1
InChIInChI=1S/C17H23NO3/c1-17(7-4-8-18-9-11-20-12-10-18)13-15(19)14-5-2-3-6-16(14)21-17/h2-3,5-6H,4,7-13H2,1H3
InChIKeyZHWHEPDUZYGYRQ-UHFFFAOYSA-N
XLogP2.52
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-(3-morpholin-4-ylpropyl)-3H-chromen-4-one 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 2-methyl-2-(3-morpholin-4-ylpropyl)-3H-chromen-4-one?
The IUPAC name of 2-methyl-2-(3-morpholin-4-ylpropyl)-3H-chromen-4-one (CID 23465608) is 2-methyl-2-(3-morpholin-4-ylpropyl)-3H-chromen-4-one.
What is the SMILES notation for 2-methyl-2-(3-morpholin-4-ylpropyl)-3H-chromen-4-one?
The canonical SMILES for 2-methyl-2-(3-morpholin-4-ylpropyl)-3H-chromen-4-one is CC1(CCCN2CCOCC2)CC(=O)c2ccccc2O1.
What is the InChIKey of 2-methyl-2-(3-morpholin-4-ylpropyl)-3H-chromen-4-one?
The InChIKey is ZHWHEPDUZYGYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-17(7-4-8-18-9-11-20-12-10-18)13-15(19)14-5-2-3-6-16(14)21-17/h2-3,5-6H,4,7-13H2,1H3.
What are the key properties of 2-methyl-2-(3-morpholin-4-ylpropyl)-3H-chromen-4-one?
2-methyl-2-(3-morpholin-4-ylpropyl)-3H-chromen-4-one has a molecular weight of 289.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-morpholin-4-ylpropyl)-3H-chromen-4-one is sourced from PubChem (CID 23465608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).