4-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-6-chloro-1,4-benzoxazin-3-one

C23H22Cl2N2O6 — CID 74228135

IUPAC4-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-6-chloro-1,4-benzoxazin-3-one
SMILESCC(=O)c1cc(Cl)ccc1OCC1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)CCO1
InChIInChI=1S/C23H22Cl2N2O6/c1-14(28)18-8-15(24)2-4-20(18)32-12-17-10-26(6-7-31-17)22(29)11-27-19-9-16(25)3-5-21(19)33-13-23(27)30/h2-5,8-9,17H,6-7,10-13H2,1H3
InChIKeyANKQFWBCDBUFCP-UHFFFAOYSA-N
MW493.34 g/mol
LogP3.23
Rot. Bonds6

About 4-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-6-chloro-1,4-benzoxazin-3-one

4-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-6-chloro-1,4-benzoxazin-3-one (PubChem CID 74228135) has the molecular formula C23H22Cl2N2O6 and a molecular weight of 493.34 g/mol. Its IUPAC name is 4-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-6-chloro-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-6-chloro-1,4-benzoxazin-3-one
PubChem CID74228135
Molecular FormulaC23H22Cl2N2O6
Molecular Weight493.34 g/mol
Exact Mass492.09
IUPAC Name4-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-6-chloro-1,4-benzoxazin-3-one
SMILESCC(=O)c1cc(Cl)ccc1OCC1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)CCO1
InChIInChI=1S/C23H22Cl2N2O6/c1-14(28)18-8-15(24)2-4-20(18)32-12-17-10-26(6-7-31-17)22(29)11-27-19-9-16(25)3-5-21(19)33-13-23(27)30/h2-5,8-9,17H,6-7,10-13H2,1H3
InChIKeyANKQFWBCDBUFCP-UHFFFAOYSA-N
XLogP3.23
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-6-chloro-1,4-benzoxazin-3-one 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

1-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
CID 3865987
1-[5-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanone
CID 79171911
N-[[3-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-3-oxopropyl]sulfanylmethyl]acetamide
CID 3846118
6-chloro-4-[2-[3-(methylamino)azetidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 172895328
6-chloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one;hydrochloride
CID 6463766
3-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholine-4-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one
CID 3857598
5-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholine-4-carbonyl]-2-chlorobenzenesulfonamide
CID 3528098
4-[2-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-6-chloro-1,4-benzoxazin-3-one
CID 35430359
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride
CID 6494233
6-chloro-4-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]-1,4-benzoxazin-3-one
CID 56799837
N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 2205365
4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,4-benzoxazin-3-one
CID 46259214

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-6-chloro-1,4-benzoxazin-3-one?
The IUPAC name of 4-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-6-chloro-1,4-benzoxazin-3-one (CID 74228135) is 4-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-6-chloro-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-6-chloro-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-6-chloro-1,4-benzoxazin-3-one is CC(=O)c1cc(Cl)ccc1OCC1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)CCO1.
What is the InChIKey of 4-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-6-chloro-1,4-benzoxazin-3-one?
The InChIKey is ANKQFWBCDBUFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O6/c1-14(28)18-8-15(24)2-4-20(18)32-12-17-10-26(6-7-31-17)22(29)11-27-19-9-16(25)3-5-21(19)33-13-23(27)30/h2-5,8-9,17H,6-7,10-13H2,1H3.
What are the key properties of 4-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-6-chloro-1,4-benzoxazin-3-one?
4-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-6-chloro-1,4-benzoxazin-3-one has a molecular weight of 493.34 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-6-chloro-1,4-benzoxazin-3-one is sourced from PubChem (CID 74228135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).