4-(2-morpholin-4-yl-2-oxoethyl)-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one

C18H23N3O7S — CID 20903081

IUPAC4-(2-morpholin-4-yl-2-oxoethyl)-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one
SMILESO=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21)N1CCOCC1
InChIInChI=1S/C18H23N3O7S/c22-17(19-3-7-26-8-4-19)12-21-15-11-14(1-2-16(15)28-13-18(21)23)29(24,25)20-5-9-27-10-6-20/h1-2,11H,3-10,12-13H2
InChIKeyILMFJKROVNUDNU-UHFFFAOYSA-N
MW425.46 g/mol
LogP-0.71
Rot. Bonds4

About 4-(2-morpholin-4-yl-2-oxoethyl)-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one

4-(2-morpholin-4-yl-2-oxoethyl)-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one (PubChem CID 20903081) has the molecular formula C18H23N3O7S and a molecular weight of 425.46 g/mol. Its IUPAC name is 4-(2-morpholin-4-yl-2-oxoethyl)-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(2-morpholin-4-yl-2-oxoethyl)-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one
PubChem CID20903081
Molecular FormulaC18H23N3O7S
Molecular Weight425.46 g/mol
Exact Mass425.13
IUPAC Name4-(2-morpholin-4-yl-2-oxoethyl)-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one
SMILESO=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21)N1CCOCC1
InChIInChI=1S/C18H23N3O7S/c22-17(19-3-7-26-8-4-19)12-21-15-11-14(1-2-16(15)28-13-18(21)23)29(24,25)20-5-9-27-10-6-20/h1-2,11H,3-10,12-13H2
InChIKeyILMFJKROVNUDNU-UHFFFAOYSA-N
XLogP-0.71
TPSA105.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(2-morpholin-4-yl-2-oxoethyl)-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one
CID 92667153
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one
CID 20861548
4-ethyl-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one
CID 100830352
N-cyclopentyl-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 20903045
2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 20861542
2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylethyl)acetamide
CID 20903061
N-(4-methylcyclohexyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 20903071
2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 92664935
6-(azepan-1-ylsulfonyl)-4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 46259224
N,N-diethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazine-6-sulfonamide
CID 20861516
2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 20861537
2-(3-oxo-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)-N-propan-2-ylacetamide
CID 20861558

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-yl-2-oxoethyl)-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one?
The IUPAC name of 4-(2-morpholin-4-yl-2-oxoethyl)-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one (CID 20903081) is 4-(2-morpholin-4-yl-2-oxoethyl)-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(2-morpholin-4-yl-2-oxoethyl)-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(2-morpholin-4-yl-2-oxoethyl)-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one is O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21)N1CCOCC1.
What is the InChIKey of 4-(2-morpholin-4-yl-2-oxoethyl)-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one?
The InChIKey is ILMFJKROVNUDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O7S/c22-17(19-3-7-26-8-4-19)12-21-15-11-14(1-2-16(15)28-13-18(21)23)29(24,25)20-5-9-27-10-6-20/h1-2,11H,3-10,12-13H2.
What are the key properties of 4-(2-morpholin-4-yl-2-oxoethyl)-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one?
4-(2-morpholin-4-yl-2-oxoethyl)-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one has a molecular weight of 425.46 g/mol, XLogP of -0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-yl-2-oxoethyl)-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 20903081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).