2-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]phthalazin-1-one

C18H21N3O3 — CID 136567872

IUPAC2-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]phthalazin-1-one
SMILESCC1(C2CC2)COCCN1C(=O)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C18H21N3O3/c1-18(14-6-7-14)12-24-9-8-20(18)16(22)11-21-17(23)15-5-3-2-4-13(15)10-19-21/h2-5,10,14H,6-9,11-12H2,1H3
InChIKeyJPDLJPHAHRIZSC-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.42
Rot. Bonds3

About 2-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]phthalazin-1-one

2-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]phthalazin-1-one (PubChem CID 136567872) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]phthalazin-1-one
PubChem CID136567872
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]phthalazin-1-one
SMILESCC1(C2CC2)COCCN1C(=O)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C18H21N3O3/c1-18(14-6-7-14)12-24-9-8-20(18)16(22)11-21-17(23)15-5-3-2-4-13(15)10-19-21/h2-5,10,14H,6-9,11-12H2,1H3
InChIKeyJPDLJPHAHRIZSC-UHFFFAOYSA-N
XLogP1.42
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]phthalazin-1-one?
The IUPAC name of 2-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]phthalazin-1-one (CID 136567872) is 2-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]phthalazin-1-one.
What is the SMILES notation for 2-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]phthalazin-1-one?
The canonical SMILES for 2-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]phthalazin-1-one is CC1(C2CC2)COCCN1C(=O)Cn1ncc2ccccc2c1=O.
What is the InChIKey of 2-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]phthalazin-1-one?
The InChIKey is JPDLJPHAHRIZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-18(14-6-7-14)12-24-9-8-20(18)16(22)11-21-17(23)15-5-3-2-4-13(15)10-19-21/h2-5,10,14H,6-9,11-12H2,1H3.
What are the key properties of 2-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]phthalazin-1-one?
2-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]phthalazin-1-one has a molecular weight of 327.38 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]phthalazin-1-one is sourced from PubChem (CID 136567872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).