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

C18H23N3O4 — CID 97113198

IUPAC2-[2-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one
SMILESCOCC[C@H]1CN(C(=O)Cn2nc(C)c3ccccc3c2=O)CCO1
InChIInChI=1S/C18H23N3O4/c1-13-15-5-3-4-6-16(15)18(23)21(19-13)12-17(22)20-8-10-25-14(11-20)7-9-24-2/h3-6,14H,7-12H2,1-2H3/t14-/m0/s1
InChIKeyJGHMVHHGURPQOI-AWEZNQCLSA-N
MW345.40 g/mol
LogP0.97
Rot. Bonds5

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

2-[2-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one (PubChem CID 97113198) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[2-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one.

Molecular Properties

Compound Name2-[2-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one
PubChem CID97113198
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name2-[2-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one
SMILESCOCC[C@H]1CN(C(=O)Cn2nc(C)c3ccccc3c2=O)CCO1
InChIInChI=1S/C18H23N3O4/c1-13-15-5-3-4-6-16(15)18(23)21(19-13)12-17(22)20-8-10-25-14(11-20)7-9-24-2/h3-6,14H,7-12H2,1-2H3/t14-/m0/s1
InChIKeyJGHMVHHGURPQOI-AWEZNQCLSA-N
XLogP0.97
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(2R)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 97113197
2-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 134044387
2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one
CID 110884426
1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-3-carboxamide
CID 51075869
1-[2-(2-methoxyethyl)morpholin-4-yl]-2-(2,3,6-trimethylphenoxy)ethanone
CID 46986778
2-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one
CID 56817728
3-[3-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-3-oxopropyl]-2-methyl-1H-quinolin-4-one
CID 124755147
N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 51091584
2-(2,5-dimethylphenyl)-1-[2-(2-methoxyethyl)morpholin-4-yl]ethanone
CID 91769226
2-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 70737171
2-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 96512933
2-[2-[(4S)-4-aminoazepan-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 95724840

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one?
The IUPAC name of 2-[2-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one (CID 97113198) is 2-[2-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one.
What is the SMILES notation for 2-[2-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one?
The canonical SMILES for 2-[2-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one is COCC[C@H]1CN(C(=O)Cn2nc(C)c3ccccc3c2=O)CCO1.
What is the InChIKey of 2-[2-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one?
The InChIKey is JGHMVHHGURPQOI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-13-15-5-3-4-6-16(15)18(23)21(19-13)12-17(22)20-8-10-25-14(11-20)7-9-24-2/h3-6,14H,7-12H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[2-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one?
2-[2-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one has a molecular weight of 345.40 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one is sourced from PubChem (CID 97113198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).