5-hydroxy-2,2-dimethyl-6-(morpholine-4-carbonyl)-10-propylpyrano[2,3-f]chromen-8-one

C22H25NO6 — CID 90677295

IUPAC5-hydroxy-2,2-dimethyl-6-(morpholine-4-carbonyl)-10-propylpyrano[2,3-f]chromen-8-one
SMILESCCCc1cc(=O)oc2c(C(=O)N3CCOCC3)c(O)c3c(c12)OC(C)(C)C=C3
InChIInChI=1S/C22H25NO6/c1-4-5-13-12-15(24)28-20-16(13)19-14(6-7-22(2,3)29-19)18(25)17(20)21(26)23-8-10-27-11-9-23/h6-7,12,25H,4-5,8-11H2,1-3H3
InChIKeyGWJIIRFITHIZMU-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.11
Rot. Bonds3

About 5-hydroxy-2,2-dimethyl-6-(morpholine-4-carbonyl)-10-propylpyrano[2,3-f]chromen-8-one

5-hydroxy-2,2-dimethyl-6-(morpholine-4-carbonyl)-10-propylpyrano[2,3-f]chromen-8-one (PubChem CID 90677295) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is 5-hydroxy-2,2-dimethyl-6-(morpholine-4-carbonyl)-10-propylpyrano[2,3-f]chromen-8-one.

Molecular Properties

Compound Name5-hydroxy-2,2-dimethyl-6-(morpholine-4-carbonyl)-10-propylpyrano[2,3-f]chromen-8-one
PubChem CID90677295
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Name5-hydroxy-2,2-dimethyl-6-(morpholine-4-carbonyl)-10-propylpyrano[2,3-f]chromen-8-one
SMILESCCCc1cc(=O)oc2c(C(=O)N3CCOCC3)c(O)c3c(c12)OC(C)(C)C=C3
InChIInChI=1S/C22H25NO6/c1-4-5-13-12-15(24)28-20-16(13)19-14(6-7-22(2,3)29-19)18(25)17(20)21(26)23-8-10-27-11-9-23/h6-7,12,25H,4-5,8-11H2,1-3H3
InChIKeyGWJIIRFITHIZMU-UHFFFAOYSA-N
XLogP3.11
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-hydroxy-2,2-dimethyl-6-(morpholine-4-carbonyl)-10-propylpyrano[2,3-f]chromen-8-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 5-hydroxy-2,2-dimethyl-6-(morpholine-4-carbonyl)-10-propylpyrano[2,3-f]chromen-8-one?
The IUPAC name of 5-hydroxy-2,2-dimethyl-6-(morpholine-4-carbonyl)-10-propylpyrano[2,3-f]chromen-8-one (CID 90677295) is 5-hydroxy-2,2-dimethyl-6-(morpholine-4-carbonyl)-10-propylpyrano[2,3-f]chromen-8-one.
What is the SMILES notation for 5-hydroxy-2,2-dimethyl-6-(morpholine-4-carbonyl)-10-propylpyrano[2,3-f]chromen-8-one?
The canonical SMILES for 5-hydroxy-2,2-dimethyl-6-(morpholine-4-carbonyl)-10-propylpyrano[2,3-f]chromen-8-one is CCCc1cc(=O)oc2c(C(=O)N3CCOCC3)c(O)c3c(c12)OC(C)(C)C=C3.
What is the InChIKey of 5-hydroxy-2,2-dimethyl-6-(morpholine-4-carbonyl)-10-propylpyrano[2,3-f]chromen-8-one?
The InChIKey is GWJIIRFITHIZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO6/c1-4-5-13-12-15(24)28-20-16(13)19-14(6-7-22(2,3)29-19)18(25)17(20)21(26)23-8-10-27-11-9-23/h6-7,12,25H,4-5,8-11H2,1-3H3.
What are the key properties of 5-hydroxy-2,2-dimethyl-6-(morpholine-4-carbonyl)-10-propylpyrano[2,3-f]chromen-8-one?
5-hydroxy-2,2-dimethyl-6-(morpholine-4-carbonyl)-10-propylpyrano[2,3-f]chromen-8-one has a molecular weight of 399.44 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,2-dimethyl-6-(morpholine-4-carbonyl)-10-propylpyrano[2,3-f]chromen-8-one is sourced from PubChem (CID 90677295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).