6-(2-morpholin-2-ylethyl)-4H-1,4-benzoxazin-3-one

C14H18N2O3 — CID 116868515

IUPAC6-(2-morpholin-2-ylethyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(CCC3CNCCO3)cc2N1
InChIInChI=1S/C14H18N2O3/c17-14-9-19-13-4-2-10(7-12(13)16-14)1-3-11-8-15-5-6-18-11/h2,4,7,11,15H,1,3,5-6,8-9H2,(H,16,17)
InChIKeyOMHMRGUPSYSVGS-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.94
Rot. Bonds3

About 6-(2-morpholin-2-ylethyl)-4H-1,4-benzoxazin-3-one

6-(2-morpholin-2-ylethyl)-4H-1,4-benzoxazin-3-one (PubChem CID 116868515) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-(2-morpholin-2-ylethyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(2-morpholin-2-ylethyl)-4H-1,4-benzoxazin-3-one
PubChem CID116868515
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name6-(2-morpholin-2-ylethyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(CCC3CNCCO3)cc2N1
InChIInChI=1S/C14H18N2O3/c17-14-9-19-13-4-2-10(7-12(13)16-14)1-3-11-8-15-5-6-18-11/h2,4,7,11,15H,1,3,5-6,8-9H2,(H,16,17)
InChIKeyOMHMRGUPSYSVGS-UHFFFAOYSA-N
XLogP0.94
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-(morpholin-2-ylmethyl)-4H-1,4-benzoxazin-3-one
CID 116994745
6-(2-morpholin-3-ylethyl)-4H-1,4-benzoxazin-3-one
CID 116928225
6-[2-(azetidin-3-ylmethylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 115207809
6-(chloromethyl)-4H-1,4-benzoxazin-3-one
CID 43121482
2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetaldehyde
CID 91313215
6-[2-(2,4-difluorophenyl)ethyl]-4H-1,4-benzoxazin-3-one
CID 127033260
6-(piperazin-1-ylmethyl)-4H-1,4-benzoxazin-3-one;dihydrochloride
CID 22326733
6-(2,2-dimethylpropyl)-4H-1,4-benzoxazin-3-one
CID 59743795
6-[(cyclohexylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 66716661
6-(pyrrolidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one
CID 82231447
6-[2-[2-(trifluoromethyl)phenyl]ethyl]-4H-1,4-benzoxazin-3-one
CID 11565976
2-[2-(3H-benzimidazol-5-yl)ethyl]morpholine
CID 116868529

Frequently Asked Questions

What is the IUPAC name of 6-(2-morpholin-2-ylethyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(2-morpholin-2-ylethyl)-4H-1,4-benzoxazin-3-one (CID 116868515) is 6-(2-morpholin-2-ylethyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(2-morpholin-2-ylethyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(2-morpholin-2-ylethyl)-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(CCC3CNCCO3)cc2N1.
What is the InChIKey of 6-(2-morpholin-2-ylethyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is OMHMRGUPSYSVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-14-9-19-13-4-2-10(7-12(13)16-14)1-3-11-8-15-5-6-18-11/h2,4,7,11,15H,1,3,5-6,8-9H2,(H,16,17).
What are the key properties of 6-(2-morpholin-2-ylethyl)-4H-1,4-benzoxazin-3-one?
6-(2-morpholin-2-ylethyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 262.31 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-morpholin-2-ylethyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 116868515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).