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

C14H18N2O3 — CID 116991020

IUPAC4-methyl-2-(morpholin-3-ylmethyl)-1,4-benzoxazin-3-one
SMILESCN1C(=O)C(CC2COCCN2)Oc2ccccc21
InChIInChI=1S/C14H18N2O3/c1-16-11-4-2-3-5-12(11)19-13(14(16)17)8-10-9-18-7-6-15-10/h2-5,10,13,15H,6-9H2,1H3
InChIKeyONMTYFOVDZEOPP-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.79
Rot. Bonds2

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

4-methyl-2-(morpholin-3-ylmethyl)-1,4-benzoxazin-3-one (PubChem CID 116991020) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-methyl-2-(morpholin-3-ylmethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-methyl-2-(morpholin-3-ylmethyl)-1,4-benzoxazin-3-one
PubChem CID116991020
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-methyl-2-(morpholin-3-ylmethyl)-1,4-benzoxazin-3-one
SMILESCN1C(=O)C(CC2COCCN2)Oc2ccccc21
InChIInChI=1S/C14H18N2O3/c1-16-11-4-2-3-5-12(11)19-13(14(16)17)8-10-9-18-7-6-15-10/h2-5,10,13,15H,6-9H2,1H3
InChIKeyONMTYFOVDZEOPP-UHFFFAOYSA-N
XLogP0.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide
CID 110404866
4-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide
CID 110404478
N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2-phenylacetamide
CID 110404497
2-(4-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide
CID 110404498
1-(2-morpholin-3-ylethyl)indole-3-carbaldehyde
CID 175600231
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide
CID 110404508
N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2,2-diphenylacetamide
CID 110404491
3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine
CID 103549624
2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,4-benzoxazin-3-one
CID 110383358
4,7-dimethyl-2-(morpholin-3-ylmethyl)isoindole-1,3-dione
CID 103549560
2-(1-amino-3-methylbutan-2-yl)-4-methyl-1,4-benzoxazin-3-one
CID 116991050
4-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide
CID 110404798

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(morpholin-3-ylmethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 4-methyl-2-(morpholin-3-ylmethyl)-1,4-benzoxazin-3-one (CID 116991020) is 4-methyl-2-(morpholin-3-ylmethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-methyl-2-(morpholin-3-ylmethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 4-methyl-2-(morpholin-3-ylmethyl)-1,4-benzoxazin-3-one is CN1C(=O)C(CC2COCCN2)Oc2ccccc21.
What is the InChIKey of 4-methyl-2-(morpholin-3-ylmethyl)-1,4-benzoxazin-3-one?
The InChIKey is ONMTYFOVDZEOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16-11-4-2-3-5-12(11)19-13(14(16)17)8-10-9-18-7-6-15-10/h2-5,10,13,15H,6-9H2,1H3.
What are the key properties of 4-methyl-2-(morpholin-3-ylmethyl)-1,4-benzoxazin-3-one?
4-methyl-2-(morpholin-3-ylmethyl)-1,4-benzoxazin-3-one has a molecular weight of 262.31 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(morpholin-3-ylmethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 116991020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).