8-dibenzothiophen-4-yl-2-morpholin-4-yl-1,3-benzoxazin-4-one

C24H18N2O3S — CID 122705987

IUPAC8-dibenzothiophen-4-yl-2-morpholin-4-yl-1,3-benzoxazin-4-one
SMILESO=c1nc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12
InChIInChI=1S/C24H18N2O3S/c27-23-19-9-3-6-16(21(19)29-24(25-23)26-11-13-28-14-12-26)18-8-4-7-17-15-5-1-2-10-20(15)30-22(17)18/h1-10H,11-14H2
InChIKeySMMSWOMXOZLOPI-UHFFFAOYSA-N
MW414.49 g/mol
LogP5.06
Rot. Bonds2

About 8-dibenzothiophen-4-yl-2-morpholin-4-yl-1,3-benzoxazin-4-one

8-dibenzothiophen-4-yl-2-morpholin-4-yl-1,3-benzoxazin-4-one (PubChem CID 122705987) has the molecular formula C24H18N2O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is 8-dibenzothiophen-4-yl-2-morpholin-4-yl-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name8-dibenzothiophen-4-yl-2-morpholin-4-yl-1,3-benzoxazin-4-one
PubChem CID122705987
Molecular FormulaC24H18N2O3S
Molecular Weight414.49 g/mol
Exact Mass414.10
IUPAC Name8-dibenzothiophen-4-yl-2-morpholin-4-yl-1,3-benzoxazin-4-one
SMILESO=c1nc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12
InChIInChI=1S/C24H18N2O3S/c27-23-19-9-3-6-16(21(19)29-24(25-23)26-11-13-28-14-12-26)18-8-4-7-17-15-5-1-2-10-20(15)30-22(17)18/h1-10H,11-14H2
InChIKeySMMSWOMXOZLOPI-UHFFFAOYSA-N
XLogP5.06
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-dibenzothiophen-4-yl-2-morpholin-4-yl-1,3-benzoxazin-4-one?
The IUPAC name of 8-dibenzothiophen-4-yl-2-morpholin-4-yl-1,3-benzoxazin-4-one (CID 122705987) is 8-dibenzothiophen-4-yl-2-morpholin-4-yl-1,3-benzoxazin-4-one.
What is the SMILES notation for 8-dibenzothiophen-4-yl-2-morpholin-4-yl-1,3-benzoxazin-4-one?
The canonical SMILES for 8-dibenzothiophen-4-yl-2-morpholin-4-yl-1,3-benzoxazin-4-one is O=c1nc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12.
What is the InChIKey of 8-dibenzothiophen-4-yl-2-morpholin-4-yl-1,3-benzoxazin-4-one?
The InChIKey is SMMSWOMXOZLOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3S/c27-23-19-9-3-6-16(21(19)29-24(25-23)26-11-13-28-14-12-26)18-8-4-7-17-15-5-1-2-10-20(15)30-22(17)18/h1-10H,11-14H2.
What are the key properties of 8-dibenzothiophen-4-yl-2-morpholin-4-yl-1,3-benzoxazin-4-one?
8-dibenzothiophen-4-yl-2-morpholin-4-yl-1,3-benzoxazin-4-one has a molecular weight of 414.49 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibenzothiophen-4-yl-2-morpholin-4-yl-1,3-benzoxazin-4-one is sourced from PubChem (CID 122705987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).