7-(morpholin-2-ylmethyl)-4H-1,4-benzoxazin-3-one

C13H16N2O3 — CID 116994745

IUPAC7-(morpholin-2-ylmethyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(CC3CNCCO3)ccc2N1
InChIInChI=1S/C13H16N2O3/c16-13-8-18-12-6-9(1-2-11(12)15-13)5-10-7-14-3-4-17-10/h1-2,6,10,14H,3-5,7-8H2,(H,15,16)
InChIKeyOCPWIMLYOMGPRW-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.55
Rot. Bonds2

About 7-(morpholin-2-ylmethyl)-4H-1,4-benzoxazin-3-one

7-(morpholin-2-ylmethyl)-4H-1,4-benzoxazin-3-one (PubChem CID 116994745) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 7-(morpholin-2-ylmethyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-(morpholin-2-ylmethyl)-4H-1,4-benzoxazin-3-one
PubChem CID116994745
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name7-(morpholin-2-ylmethyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(CC3CNCCO3)ccc2N1
InChIInChI=1S/C13H16N2O3/c16-13-8-18-12-6-9(1-2-11(12)15-13)5-10-7-14-3-4-17-10/h1-2,6,10,14H,3-5,7-8H2,(H,15,16)
InChIKeyOCPWIMLYOMGPRW-UHFFFAOYSA-N
XLogP0.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-morpholin-2-ylethyl)-4H-1,4-benzoxazin-3-one
CID 116868515
2-(3-oxo-4H-1,4-benzoxazin-7-yl)acetaldehyde
CID 130015202
7-(2-sulfanylethyl)-4H-1,4-benzoxazin-3-one
CID 116994736
7-(2-chloroethyl)-4H-1,4-benzoxazin-3-one
CID 116994731
2-[(4-bromophenyl)methyl]morpholine
CID 66730468
2-[(6-methylnaphthalen-2-yl)methyl]morpholine
CID 116927898
N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]methanesulfonamide
CID 110738564
2-[(3,4-diethoxyphenyl)methyl]morpholine
CID 116989260
7-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-4H-1,4-benzoxazin-3-one
CID 168924982
7-[2-(4-phenylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one
CID 19752235
6-(pyrrolidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one
CID 82231447
ethane;7-methyl-4H-1,4-benzoxazin-3-one
CID 143712087

Frequently Asked Questions

What is the IUPAC name of 7-(morpholin-2-ylmethyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-(morpholin-2-ylmethyl)-4H-1,4-benzoxazin-3-one (CID 116994745) is 7-(morpholin-2-ylmethyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-(morpholin-2-ylmethyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-(morpholin-2-ylmethyl)-4H-1,4-benzoxazin-3-one is O=C1COc2cc(CC3CNCCO3)ccc2N1.
What is the InChIKey of 7-(morpholin-2-ylmethyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is OCPWIMLYOMGPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-13-8-18-12-6-9(1-2-11(12)15-13)5-10-7-14-3-4-17-10/h1-2,6,10,14H,3-5,7-8H2,(H,15,16).
What are the key properties of 7-(morpholin-2-ylmethyl)-4H-1,4-benzoxazin-3-one?
7-(morpholin-2-ylmethyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 248.28 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(morpholin-2-ylmethyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 116994745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).