2-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one

C21H20FN3O3 — CID 134044387

IUPAC2-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one
SMILESCc1nn(CC(=O)N2CCOC(c3ccc(F)cc3)C2)c(=O)c2ccccc12
InChIInChI=1S/C21H20FN3O3/c1-14-17-4-2-3-5-18(17)21(27)25(23-14)13-20(26)24-10-11-28-19(12-24)15-6-8-16(22)9-7-15/h2-9,19H,10-13H2,1H3
InChIKeyHVSGZFONKSXSBR-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.44
Rot. Bonds3

About 2-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one

2-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one (PubChem CID 134044387) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one.

Molecular Properties

Compound Name2-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one
PubChem CID134044387
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name2-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one
SMILESCc1nn(CC(=O)N2CCOC(c3ccc(F)cc3)C2)c(=O)c2ccccc12
InChIInChI=1S/C21H20FN3O3/c1-14-17-4-2-3-5-18(17)21(27)25(23-14)13-20(26)24-10-11-28-19(12-24)15-6-8-16(22)9-7-15/h2-9,19H,10-13H2,1H3
InChIKeyHVSGZFONKSXSBR-UHFFFAOYSA-N
XLogP2.44
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]cinnolin-4-one
CID 134044292
2-[2-[(2R)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 97113197
2-[2-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 97113198
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 38372872
2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one
CID 110884426
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 95555940
3-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 46579431
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-3-carboxamide
CID 51075869
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(2R)-2-[(2S)-2-hydroxypropyl]piperidin-1-yl]ethanone
CID 124864293
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 134044274

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one?
The IUPAC name of 2-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one (CID 134044387) is 2-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one.
What is the SMILES notation for 2-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one?
The canonical SMILES for 2-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one is Cc1nn(CC(=O)N2CCOC(c3ccc(F)cc3)C2)c(=O)c2ccccc12.
What is the InChIKey of 2-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one?
The InChIKey is HVSGZFONKSXSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-14-17-4-2-3-5-18(17)21(27)25(23-14)13-20(26)24-10-11-28-19(12-24)15-6-8-16(22)9-7-15/h2-9,19H,10-13H2,1H3.
What are the key properties of 2-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one?
2-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one has a molecular weight of 381.41 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one is sourced from PubChem (CID 134044387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).