9-(3-morpholin-4-ylpropyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one

C24H32N2O4 — CID 73402861

IUPAC9-(3-morpholin-4-ylpropyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
SMILESO=C1C(c2ccccc2)=COC2C1CCC1OCN(CCCN3CCOCC3)CC12
InChIInChI=1S/C24H32N2O4/c27-23-19-7-8-22-20(24(19)29-16-21(23)18-5-2-1-3-6-18)15-26(17-30-22)10-4-9-25-11-13-28-14-12-25/h1-3,5-6,16,19-20,22,24H,4,7-15,17H2
InChIKeyJUEVTYLILSHSLP-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.40
Rot. Bonds5

About 9-(3-morpholin-4-ylpropyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one

9-(3-morpholin-4-ylpropyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one (PubChem CID 73402861) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 9-(3-morpholin-4-ylpropyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one.

Molecular Properties

Compound Name9-(3-morpholin-4-ylpropyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
PubChem CID73402861
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name9-(3-morpholin-4-ylpropyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
SMILESO=C1C(c2ccccc2)=COC2C1CCC1OCN(CCCN3CCOCC3)CC12
InChIInChI=1S/C24H32N2O4/c27-23-19-7-8-22-20(24(19)29-16-21(23)18-5-2-1-3-6-18)15-26(17-30-22)10-4-9-25-11-13-28-14-12-25/h1-3,5-6,16,19-20,22,24H,4,7-15,17H2
InChIKeyJUEVTYLILSHSLP-UHFFFAOYSA-N
XLogP2.40
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(3-morpholin-4-ylpropyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one?
The IUPAC name of 9-(3-morpholin-4-ylpropyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one (CID 73402861) is 9-(3-morpholin-4-ylpropyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one.
What is the SMILES notation for 9-(3-morpholin-4-ylpropyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one?
The canonical SMILES for 9-(3-morpholin-4-ylpropyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one is O=C1C(c2ccccc2)=COC2C1CCC1OCN(CCCN3CCOCC3)CC12.
What is the InChIKey of 9-(3-morpholin-4-ylpropyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one?
The InChIKey is JUEVTYLILSHSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c27-23-19-7-8-22-20(24(19)29-16-21(23)18-5-2-1-3-6-18)15-26(17-30-22)10-4-9-25-11-13-28-14-12-25/h1-3,5-6,16,19-20,22,24H,4,7-15,17H2.
What are the key properties of 9-(3-morpholin-4-ylpropyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one?
9-(3-morpholin-4-ylpropyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one has a molecular weight of 412.53 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-morpholin-4-ylpropyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one is sourced from PubChem (CID 73402861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).