6-[2-(2,4-difluorophenoxy)acetyl]-4-(4-morpholin-4-yl-4-oxobutyl)-1,4-benzoxazin-3-one

C24H24F2N2O6 — CID 42846792

IUPAC6-[2-(2,4-difluorophenoxy)acetyl]-4-(4-morpholin-4-yl-4-oxobutyl)-1,4-benzoxazin-3-one
SMILESO=C(COc1ccc(F)cc1F)c1ccc2c(c1)N(CCCC(=O)N1CCOCC1)C(=O)CO2
InChIInChI=1S/C24H24F2N2O6/c25-17-4-6-21(18(26)13-17)33-14-20(29)16-3-5-22-19(12-16)28(24(31)15-34-22)7-1-2-23(30)27-8-10-32-11-9-27/h3-6,12-13H,1-2,7-11,14-15H2
InChIKeyZQFOEZGTTFNQGA-UHFFFAOYSA-N
MW474.46 g/mol
LogP2.59
Rot. Bonds8

About 6-[2-(2,4-difluorophenoxy)acetyl]-4-(4-morpholin-4-yl-4-oxobutyl)-1,4-benzoxazin-3-one

6-[2-(2,4-difluorophenoxy)acetyl]-4-(4-morpholin-4-yl-4-oxobutyl)-1,4-benzoxazin-3-one (PubChem CID 42846792) has the molecular formula C24H24F2N2O6 and a molecular weight of 474.46 g/mol. Its IUPAC name is 6-[2-(2,4-difluorophenoxy)acetyl]-4-(4-morpholin-4-yl-4-oxobutyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[2-(2,4-difluorophenoxy)acetyl]-4-(4-morpholin-4-yl-4-oxobutyl)-1,4-benzoxazin-3-one
PubChem CID42846792
Molecular FormulaC24H24F2N2O6
Molecular Weight474.46 g/mol
Exact Mass474.16
IUPAC Name6-[2-(2,4-difluorophenoxy)acetyl]-4-(4-morpholin-4-yl-4-oxobutyl)-1,4-benzoxazin-3-one
SMILESO=C(COc1ccc(F)cc1F)c1ccc2c(c1)N(CCCC(=O)N1CCOCC1)C(=O)CO2
InChIInChI=1S/C24H24F2N2O6/c25-17-4-6-21(18(26)13-17)33-14-20(29)16-3-5-22-19(12-16)28(24(31)15-34-22)7-1-2-23(30)27-8-10-32-11-9-27/h3-6,12-13H,1-2,7-11,14-15H2
InChIKeyZQFOEZGTTFNQGA-UHFFFAOYSA-N
XLogP2.59
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.46
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[2-(2,4-difluorophenoxy)acetyl]-4-(4-morpholin-4-yl-4-oxobutyl)-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-[2-(2-fluorophenoxy)acetyl]-4-(4-morpholin-4-yl-4-oxobutyl)-1,4-benzoxazin-3-one
CID 46155321
6-[2-(3-methoxyphenoxy)acetyl]-4-(4-morpholin-4-yl-4-oxobutyl)-1,4-benzoxazin-3-one
CID 46035150
6-[2-(2,4-difluorophenoxy)acetyl]-4-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-1,4-benzoxazin-3-one
CID 93319465
6-[2-(2-fluoro-5-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one
CID 42846701
N-[2-(dimethylamino)ethyl]-4-[6-[2-(4-fluoro-2-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanamide
CID 42846957
6-[2-(3-methylphenoxy)acetyl]-4-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-1,4-benzoxazin-3-one
CID 42846812
4-(2-morpholin-4-yl-2-oxoethyl)-6-(2-phenoxyacetyl)-1,4-benzoxazin-3-one
CID 42847189
4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-[2-(2-fluorophenoxy)acetyl]-1,4-benzoxazin-3-one
CID 42847209
2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
CID 17190869
6-[2-(4-fluorophenoxy)acetyl]-4-[[5-(morpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one
CID 46034461
2-[[6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]-N,N-diethyl-1,3-oxazole-4-carboxamide
CID 42846568
ethyl (3R)-1-[4-[6-[2-(2,5-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoyl]piperidine-3-carboxylate
CID 98306496

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,4-difluorophenoxy)acetyl]-4-(4-morpholin-4-yl-4-oxobutyl)-1,4-benzoxazin-3-one?
The IUPAC name of 6-[2-(2,4-difluorophenoxy)acetyl]-4-(4-morpholin-4-yl-4-oxobutyl)-1,4-benzoxazin-3-one (CID 42846792) is 6-[2-(2,4-difluorophenoxy)acetyl]-4-(4-morpholin-4-yl-4-oxobutyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[2-(2,4-difluorophenoxy)acetyl]-4-(4-morpholin-4-yl-4-oxobutyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[2-(2,4-difluorophenoxy)acetyl]-4-(4-morpholin-4-yl-4-oxobutyl)-1,4-benzoxazin-3-one is O=C(COc1ccc(F)cc1F)c1ccc2c(c1)N(CCCC(=O)N1CCOCC1)C(=O)CO2.
What is the InChIKey of 6-[2-(2,4-difluorophenoxy)acetyl]-4-(4-morpholin-4-yl-4-oxobutyl)-1,4-benzoxazin-3-one?
The InChIKey is ZQFOEZGTTFNQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O6/c25-17-4-6-21(18(26)13-17)33-14-20(29)16-3-5-22-19(12-16)28(24(31)15-34-22)7-1-2-23(30)27-8-10-32-11-9-27/h3-6,12-13H,1-2,7-11,14-15H2.
What are the key properties of 6-[2-(2,4-difluorophenoxy)acetyl]-4-(4-morpholin-4-yl-4-oxobutyl)-1,4-benzoxazin-3-one?
6-[2-(2,4-difluorophenoxy)acetyl]-4-(4-morpholin-4-yl-4-oxobutyl)-1,4-benzoxazin-3-one has a molecular weight of 474.46 g/mol, XLogP of 2.59, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,4-difluorophenoxy)acetyl]-4-(4-morpholin-4-yl-4-oxobutyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 42846792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).