3-(3-morpholin-4-ylpropylamino)xanthen-9-one

C20H22N2O3 — CID 24792642

IUPAC3-(3-morpholin-4-ylpropylamino)xanthen-9-one
SMILESO=c1c2ccccc2oc2cc(NCCCN3CCOCC3)ccc12
InChIInChI=1S/C20H22N2O3/c23-20-16-4-1-2-5-18(16)25-19-14-15(6-7-17(19)20)21-8-3-9-22-10-12-24-13-11-22/h1-2,4-7,14,21H,3,8-13H2
InChIKeyMGTKHOVOOIYEMQ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.08
Rot. Bonds5

About 3-(3-morpholin-4-ylpropylamino)xanthen-9-one

3-(3-morpholin-4-ylpropylamino)xanthen-9-one (PubChem CID 24792642) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylpropylamino)xanthen-9-one.

Molecular Properties

Compound Name3-(3-morpholin-4-ylpropylamino)xanthen-9-one
PubChem CID24792642
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-(3-morpholin-4-ylpropylamino)xanthen-9-one
SMILESO=c1c2ccccc2oc2cc(NCCCN3CCOCC3)ccc12
InChIInChI=1S/C20H22N2O3/c23-20-16-4-1-2-5-18(16)25-19-14-15(6-7-17(19)20)21-8-3-9-22-10-12-24-13-11-22/h1-2,4-7,14,21H,3,8-13H2
InChIKeyMGTKHOVOOIYEMQ-UHFFFAOYSA-N
XLogP3.08
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylpropylamino)xanthen-9-one?
The IUPAC name of 3-(3-morpholin-4-ylpropylamino)xanthen-9-one (CID 24792642) is 3-(3-morpholin-4-ylpropylamino)xanthen-9-one.
What is the SMILES notation for 3-(3-morpholin-4-ylpropylamino)xanthen-9-one?
The canonical SMILES for 3-(3-morpholin-4-ylpropylamino)xanthen-9-one is O=c1c2ccccc2oc2cc(NCCCN3CCOCC3)ccc12.
What is the InChIKey of 3-(3-morpholin-4-ylpropylamino)xanthen-9-one?
The InChIKey is MGTKHOVOOIYEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-20-16-4-1-2-5-18(16)25-19-14-15(6-7-17(19)20)21-8-3-9-22-10-12-24-13-11-22/h1-2,4-7,14,21H,3,8-13H2.
What are the key properties of 3-(3-morpholin-4-ylpropylamino)xanthen-9-one?
3-(3-morpholin-4-ylpropylamino)xanthen-9-one has a molecular weight of 338.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylpropylamino)xanthen-9-one is sourced from PubChem (CID 24792642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).