3,3,3-trifluoro-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)propanamide

C15H15F3N4O3 — CID 70976207

IUPAC3,3,3-trifluoro-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)propanamide
SMILESO=C(CC(F)(F)F)Nn1nc(N2CCOCC2)c2ccccc2c1=O
InChIInChI=1S/C15H15F3N4O3/c16-15(17,18)9-12(23)19-22-14(24)11-4-2-1-3-10(11)13(20-22)21-5-7-25-8-6-21/h1-4H,5-9H2,(H,19,23)
InChIKeyMXAFJLDNCBSSPP-UHFFFAOYSA-N
MW356.30 g/mol
LogP1.26
Rot. Bonds3

About 3,3,3-trifluoro-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)propanamide

3,3,3-trifluoro-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)propanamide (PubChem CID 70976207) has the molecular formula C15H15F3N4O3 and a molecular weight of 356.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)propanamide
PubChem CID70976207
Molecular FormulaC15H15F3N4O3
Molecular Weight356.30 g/mol
Exact Mass356.11
IUPAC Name3,3,3-trifluoro-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)propanamide
SMILESO=C(CC(F)(F)F)Nn1nc(N2CCOCC2)c2ccccc2c1=O
InChIInChI=1S/C15H15F3N4O3/c16-15(17,18)9-12(23)19-22-14(24)11-4-2-1-3-10(11)13(20-22)21-5-7-25-8-6-21/h1-4H,5-9H2,(H,19,23)
InChIKeyMXAFJLDNCBSSPP-UHFFFAOYSA-N
XLogP1.26
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)-2-phenylacetamide
CID 70976253
2-(4-fluorophenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 70975795
2-(3-methylphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 70976210
2-(2,3-dimethoxyphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 70976193
N-(2,6-dimethylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 53137060
N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 53137056
2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide
CID 70976001
N-[4-(4-benzylpiperazin-1-yl)-1-oxophthalazin-2-yl]-2-(4-chlorophenyl)acetamide
CID 70975827
N-(2-ethyl-6-methylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 53137072
N-[1-oxo-4-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 177251722
methyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate
CID 3021583
1-(1,4-oxazepan-4-yl)isoquinoline-4-carboxylic acid
CID 106766993

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)propanamide (CID 70976207) is 3,3,3-trifluoro-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)propanamide is O=C(CC(F)(F)F)Nn1nc(N2CCOCC2)c2ccccc2c1=O.
What is the InChIKey of 3,3,3-trifluoro-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)propanamide?
The InChIKey is MXAFJLDNCBSSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O3/c16-15(17,18)9-12(23)19-22-14(24)11-4-2-1-3-10(11)13(20-22)21-5-7-25-8-6-21/h1-4H,5-9H2,(H,19,23).
What are the key properties of 3,3,3-trifluoro-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)propanamide?
3,3,3-trifluoro-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)propanamide has a molecular weight of 356.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)propanamide is sourced from PubChem (CID 70976207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).