2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]-4-phenylphthalazin-1-one

C23H27N3O3 — CID 47556544

IUPAC2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]-4-phenylphthalazin-1-one
SMILESCC1CN(CC(O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)CC(C)O1
InChIInChI=1S/C23H27N3O3/c1-16-12-25(13-17(2)29-16)14-19(27)15-26-23(28)21-11-7-6-10-20(21)22(24-26)18-8-4-3-5-9-18/h3-11,16-17,19,27H,12-15H2,1-2H3
InChIKeyIWDHBSVWICPOAG-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.53
Rot. Bonds5

About 2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]-4-phenylphthalazin-1-one

2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]-4-phenylphthalazin-1-one (PubChem CID 47556544) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]-4-phenylphthalazin-1-one.

Molecular Properties

Compound Name2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]-4-phenylphthalazin-1-one
PubChem CID47556544
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]-4-phenylphthalazin-1-one
SMILESCC1CN(CC(O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)CC(C)O1
InChIInChI=1S/C23H27N3O3/c1-16-12-25(13-17(2)29-16)14-19(27)15-26-23(28)21-11-7-6-10-20(21)22(24-26)18-8-4-3-5-9-18/h3-11,16-17,19,27H,12-15H2,1-2H3
InChIKeyIWDHBSVWICPOAG-UHFFFAOYSA-N
XLogP2.53
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]-4-phenylphthalazin-1-one?
The IUPAC name of 2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]-4-phenylphthalazin-1-one (CID 47556544) is 2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]-4-phenylphthalazin-1-one.
What is the SMILES notation for 2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]-4-phenylphthalazin-1-one?
The canonical SMILES for 2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]-4-phenylphthalazin-1-one is CC1CN(CC(O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)CC(C)O1.
What is the InChIKey of 2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]-4-phenylphthalazin-1-one?
The InChIKey is IWDHBSVWICPOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16-12-25(13-17(2)29-16)14-19(27)15-26-23(28)21-11-7-6-10-20(21)22(24-26)18-8-4-3-5-9-18/h3-11,16-17,19,27H,12-15H2,1-2H3.
What are the key properties of 2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]-4-phenylphthalazin-1-one?
2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]-4-phenylphthalazin-1-one has a molecular weight of 393.49 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]-4-phenylphthalazin-1-one is sourced from PubChem (CID 47556544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).