2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide

C24H26ClN3O6 — CID 46035540

IUPAC2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(CN1C(=O)COc2ccc(C(=O)COc3ccc(Cl)cc3)cc21)NCCN1CCOCC1
InChIInChI=1S/C24H26ClN3O6/c25-18-2-4-19(5-3-18)33-15-21(29)17-1-6-22-20(13-17)28(24(31)16-34-22)14-23(30)26-7-8-27-9-11-32-12-10-27/h1-6,13H,7-12,14-16H2,(H,26,30)
InChIKeyYTKUPBMSQPLJHN-UHFFFAOYSA-N
MW487.94 g/mol
LogP1.78
Rot. Bonds9

About 2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide

2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 46035540) has the molecular formula C24H26ClN3O6 and a molecular weight of 487.94 g/mol. Its IUPAC name is 2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID46035540
Molecular FormulaC24H26ClN3O6
Molecular Weight487.94 g/mol
Exact Mass487.15
IUPAC Name2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(CN1C(=O)COc2ccc(C(=O)COc3ccc(Cl)cc3)cc21)NCCN1CCOCC1
InChIInChI=1S/C24H26ClN3O6/c25-18-2-4-19(5-3-18)33-15-21(29)17-1-6-22-20(13-17)28(24(31)16-34-22)14-23(30)26-7-8-27-9-11-32-12-10-27/h1-6,13H,7-12,14-16H2,(H,26,30)
InChIKeyYTKUPBMSQPLJHN-UHFFFAOYSA-N
XLogP1.78
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.94
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 26368507
4-[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 42846833
2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(1-phenylethyl)acetamide
CID 46035544
2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 93319628
2-[6-[2-(2-ethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 46035011
2-[6-[2-(4-chloro-3-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-methoxyethyl)acetamide
CID 42847131
N-ethyl-2-[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]acetamide
CID 42847180
4-(2-morpholin-4-yl-2-oxoethyl)-6-(2-phenoxyacetyl)-1,4-benzoxazin-3-one
CID 42847189
4-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylbutanamide
CID 42846769
2-[6-[2-(4-chloro-3-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(cyclopropylmethyl)acetamide
CID 46035660
N-benzyl-2-[6-[2-(3,4-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 46035693
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide
CID 37360924

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide (CID 46035540) is 2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide is O=C(CN1C(=O)COc2ccc(C(=O)COc3ccc(Cl)cc3)cc21)NCCN1CCOCC1.
What is the InChIKey of 2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is YTKUPBMSQPLJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O6/c25-18-2-4-19(5-3-18)33-15-21(29)17-1-6-22-20(13-17)28(24(31)16-34-22)14-23(30)26-7-8-27-9-11-32-12-10-27/h1-6,13H,7-12,14-16H2,(H,26,30).
What are the key properties of 2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 487.94 g/mol, XLogP of 1.78, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 46035540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).