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

C22H22N2O6 — CID 42847189

IUPAC4-(2-morpholin-4-yl-2-oxoethyl)-6-(2-phenoxyacetyl)-1,4-benzoxazin-3-one
SMILESO=C(COc1ccccc1)c1ccc2c(c1)N(CC(=O)N1CCOCC1)C(=O)CO2
InChIInChI=1S/C22H22N2O6/c25-19(14-29-17-4-2-1-3-5-17)16-6-7-20-18(12-16)24(22(27)15-30-20)13-21(26)23-8-10-28-11-9-23/h1-7,12H,8-11,13-15H2
InChIKeyGMTRVICYBJORBE-UHFFFAOYSA-N
MW410.43 g/mol
LogP1.53
Rot. Bonds6

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

4-(2-morpholin-4-yl-2-oxoethyl)-6-(2-phenoxyacetyl)-1,4-benzoxazin-3-one (PubChem CID 42847189) has the molecular formula C22H22N2O6 and a molecular weight of 410.43 g/mol. Its IUPAC name is 4-(2-morpholin-4-yl-2-oxoethyl)-6-(2-phenoxyacetyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(2-morpholin-4-yl-2-oxoethyl)-6-(2-phenoxyacetyl)-1,4-benzoxazin-3-one
PubChem CID42847189
Molecular FormulaC22H22N2O6
Molecular Weight410.43 g/mol
Exact Mass410.15
IUPAC Name4-(2-morpholin-4-yl-2-oxoethyl)-6-(2-phenoxyacetyl)-1,4-benzoxazin-3-one
SMILESO=C(COc1ccccc1)c1ccc2c(c1)N(CC(=O)N1CCOCC1)C(=O)CO2
InChIInChI=1S/C22H22N2O6/c25-19(14-29-17-4-2-1-3-5-17)16-6-7-20-18(12-16)24(22(27)15-30-20)13-21(26)23-8-10-28-11-9-23/h1-7,12H,8-11,13-15H2
InChIKeyGMTRVICYBJORBE-UHFFFAOYSA-N
XLogP1.53
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-[2-(2-fluoro-5-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one
CID 42846701
N-ethyl-2-[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]acetamide
CID 42847180
6-[2-(3-methoxyphenoxy)acetyl]-4-(4-morpholin-4-yl-4-oxobutyl)-1,4-benzoxazin-3-one
CID 46035150
N-cyclohexyl-2-[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]acetamide
CID 42847182
6-[2-(2-fluorophenoxy)acetyl]-4-(4-morpholin-4-yl-4-oxobutyl)-1,4-benzoxazin-3-one
CID 46155321
4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-[2-(2-fluorophenoxy)acetyl]-1,4-benzoxazin-3-one
CID 42847209
2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 46035540
ethyl 1-[2-[3-oxo-6-[2-(4-propylphenoxy)acetyl]-1,4-benzoxazin-4-yl]acetyl]piperidine-4-carboxylate
CID 46035107
6-[2-(4-fluorophenoxy)acetyl]-4-[[5-(morpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one
CID 46034461
N-benzyl-2-[6-[2-(3,5-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-methylacetamide
CID 46035522
2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(1-phenylethyl)acetamide
CID 46035544
6-[2-(2,4-difluorophenoxy)acetyl]-4-(4-morpholin-4-yl-4-oxobutyl)-1,4-benzoxazin-3-one
CID 42846792

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-yl-2-oxoethyl)-6-(2-phenoxyacetyl)-1,4-benzoxazin-3-one?
The IUPAC name of 4-(2-morpholin-4-yl-2-oxoethyl)-6-(2-phenoxyacetyl)-1,4-benzoxazin-3-one (CID 42847189) is 4-(2-morpholin-4-yl-2-oxoethyl)-6-(2-phenoxyacetyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(2-morpholin-4-yl-2-oxoethyl)-6-(2-phenoxyacetyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(2-morpholin-4-yl-2-oxoethyl)-6-(2-phenoxyacetyl)-1,4-benzoxazin-3-one is O=C(COc1ccccc1)c1ccc2c(c1)N(CC(=O)N1CCOCC1)C(=O)CO2.
What is the InChIKey of 4-(2-morpholin-4-yl-2-oxoethyl)-6-(2-phenoxyacetyl)-1,4-benzoxazin-3-one?
The InChIKey is GMTRVICYBJORBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6/c25-19(14-29-17-4-2-1-3-5-17)16-6-7-20-18(12-16)24(22(27)15-30-20)13-21(26)23-8-10-28-11-9-23/h1-7,12H,8-11,13-15H2.
What are the key properties of 4-(2-morpholin-4-yl-2-oxoethyl)-6-(2-phenoxyacetyl)-1,4-benzoxazin-3-one?
4-(2-morpholin-4-yl-2-oxoethyl)-6-(2-phenoxyacetyl)-1,4-benzoxazin-3-one has a molecular weight of 410.43 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-yl-2-oxoethyl)-6-(2-phenoxyacetyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 42847189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).