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

C14H16N2O4 — CID 758044

IUPAC4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one
SMILESO=C(CN1C(=O)COc2ccccc21)N1CCOCC1
InChIInChI=1S/C14H16N2O4/c17-13(15-5-7-19-8-6-15)9-16-11-3-1-2-4-12(11)20-10-14(16)18/h1-4H,5-10H2
InChIKeyHYCBJBXRHTUZJS-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.27
Rot. Bonds2

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

4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one (PubChem CID 758044) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one
PubChem CID758044
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one
SMILESO=C(CN1C(=O)COc2ccccc21)N1CCOCC1
InChIInChI=1S/C14H16N2O4/c17-13(15-5-7-19-8-6-15)9-16-11-3-1-2-4-12(11)20-10-14(16)18/h1-4H,5-10H2
InChIKeyHYCBJBXRHTUZJS-UHFFFAOYSA-N
XLogP0.27
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

AC-260584
CID 9928284
3,4-Dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 26120
Rwj-69736
CID 9866614
2H-1,4-benzoxazin-3(4H)-one
CID 72757
2H-1,4-Benzoxazin-3(4H)-one, 4-hydroxy-
CID 69865
Rwj-38063
CID 9887378
2-(4-methylpiperazino)-N-(2-phenoxyphenyl)acetamide
CID 2813152
4-Benzyl-8-(piperazin-1-yl)-4H-benzo[1,4]oxazin-3-one
CID 10019089
7-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10573576
7-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10809876
N-(2-Methoxyphenyl)-2-morpholinoacetamide
CID 684240
N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 31092

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one (CID 758044) is 4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one is O=C(CN1C(=O)COc2ccccc21)N1CCOCC1.
What is the InChIKey of 4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one?
The InChIKey is HYCBJBXRHTUZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-13(15-5-7-19-8-6-15)9-16-11-3-1-2-4-12(11)20-10-14(16)18/h1-4H,5-10H2.
What are the key properties of 4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one?
4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one has a molecular weight of 276.29 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 758044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).