2-[1-oxo-1-(2-pyridin-2-ylmorpholin-4-yl)propan-2-yl]phthalazin-1-one

C20H20N4O3 — CID 163783515

IUPAC2-[1-oxo-1-(2-pyridin-2-ylmorpholin-4-yl)propan-2-yl]phthalazin-1-one
SMILESCC(C(=O)N1CCOC(c2ccccn2)C1)n1ncc2ccccc2c1=O
InChIInChI=1S/C20H20N4O3/c1-14(24-20(26)16-7-3-2-6-15(16)12-22-24)19(25)23-10-11-27-18(13-23)17-8-4-5-9-21-17/h2-9,12,14,18H,10-11,13H2,1H3
InChIKeyMQPXCIWRSQLRCK-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.95
Rot. Bonds3

About 2-[1-oxo-1-(2-pyridin-2-ylmorpholin-4-yl)propan-2-yl]phthalazin-1-one

2-[1-oxo-1-(2-pyridin-2-ylmorpholin-4-yl)propan-2-yl]phthalazin-1-one (PubChem CID 163783515) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[1-oxo-1-(2-pyridin-2-ylmorpholin-4-yl)propan-2-yl]phthalazin-1-one.

Molecular Properties

Compound Name2-[1-oxo-1-(2-pyridin-2-ylmorpholin-4-yl)propan-2-yl]phthalazin-1-one
PubChem CID163783515
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-[1-oxo-1-(2-pyridin-2-ylmorpholin-4-yl)propan-2-yl]phthalazin-1-one
SMILESCC(C(=O)N1CCOC(c2ccccn2)C1)n1ncc2ccccc2c1=O
InChIInChI=1S/C20H20N4O3/c1-14(24-20(26)16-7-3-2-6-15(16)12-22-24)19(25)23-10-11-27-18(13-23)17-8-4-5-9-21-17/h2-9,12,14,18H,10-11,13H2,1H3
InChIKeyMQPXCIWRSQLRCK-UHFFFAOYSA-N
XLogP1.95
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

pyridin-4-yl-(2-pyridin-2-ylmorpholin-4-yl)methanone
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(2-pyridin-2-ylmorpholin-4-yl)-pyrimidin-5-ylmethanone
CID 110270857
(4-methylpyrazolo[1,5-a]pyridin-3-yl)-(2-pyridin-2-ylmorpholin-4-yl)methanone
CID 137345147
(3-methyl-2-pyridinyl)-[(2R)-2-pyridin-2-ylmorpholin-4-yl]methanone
CID 125022820
(4-fluorophenyl)-[(2R)-2-pyridin-2-ylmorpholin-4-yl]methanone
CID 95844813
(1-methylpyrazolo[4,5-b]pyridin-6-yl)-(2-pyridin-2-ylmorpholin-4-yl)methanone
CID 157018438
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 125024334
(2R)-1-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]-2-thiophen-2-ylpropan-1-one
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(2S)-1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-2-thiophen-2-ylpropan-1-one
CID 129478869
2-(benzimidazol-1-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 43070696
tert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate
CID 176629684
(1-methylindol-3-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 2-[1-oxo-1-(2-pyridin-2-ylmorpholin-4-yl)propan-2-yl]phthalazin-1-one?
The IUPAC name of 2-[1-oxo-1-(2-pyridin-2-ylmorpholin-4-yl)propan-2-yl]phthalazin-1-one (CID 163783515) is 2-[1-oxo-1-(2-pyridin-2-ylmorpholin-4-yl)propan-2-yl]phthalazin-1-one.
What is the SMILES notation for 2-[1-oxo-1-(2-pyridin-2-ylmorpholin-4-yl)propan-2-yl]phthalazin-1-one?
The canonical SMILES for 2-[1-oxo-1-(2-pyridin-2-ylmorpholin-4-yl)propan-2-yl]phthalazin-1-one is CC(C(=O)N1CCOC(c2ccccn2)C1)n1ncc2ccccc2c1=O.
What is the InChIKey of 2-[1-oxo-1-(2-pyridin-2-ylmorpholin-4-yl)propan-2-yl]phthalazin-1-one?
The InChIKey is MQPXCIWRSQLRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14(24-20(26)16-7-3-2-6-15(16)12-22-24)19(25)23-10-11-27-18(13-23)17-8-4-5-9-21-17/h2-9,12,14,18H,10-11,13H2,1H3.
What are the key properties of 2-[1-oxo-1-(2-pyridin-2-ylmorpholin-4-yl)propan-2-yl]phthalazin-1-one?
2-[1-oxo-1-(2-pyridin-2-ylmorpholin-4-yl)propan-2-yl]phthalazin-1-one has a molecular weight of 364.41 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-oxo-1-(2-pyridin-2-ylmorpholin-4-yl)propan-2-yl]phthalazin-1-one is sourced from PubChem (CID 163783515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).