4-benzyl-2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]phthalazin-1-one

C23H24N4O2 — CID 146044386

IUPAC4-benzyl-2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]phthalazin-1-one
SMILESCN1CC2(C1)CN(C(=O)Cn1nc(Cc3ccccc3)c3ccccc3c1=O)C2
InChIInChI=1S/C23H24N4O2/c1-25-13-23(14-25)15-26(16-23)21(28)12-27-22(29)19-10-6-5-9-18(19)20(24-27)11-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKeyUQADALHLNHGZJZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP1.76
Rot. Bonds4

About 4-benzyl-2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]phthalazin-1-one

4-benzyl-2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]phthalazin-1-one (PubChem CID 146044386) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-benzyl-2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]phthalazin-1-one.

Molecular Properties

Compound Name4-benzyl-2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]phthalazin-1-one
PubChem CID146044386
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name4-benzyl-2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]phthalazin-1-one
SMILESCN1CC2(C1)CN(C(=O)Cn1nc(Cc3ccccc3)c3ccccc3c1=O)C2
InChIInChI=1S/C23H24N4O2/c1-25-13-23(14-25)15-26(16-23)21(28)12-27-22(29)19-10-6-5-9-18(19)20(24-27)11-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKeyUQADALHLNHGZJZ-UHFFFAOYSA-N
XLogP1.76
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzyl-1-oxophthalazin-2-yl)acetamide
CID 39890759
4-benzyl-2-ethylphthalazin-1-one
CID 18336950
2-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one
CID 20875926
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one
CID 5308755
2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one
CID 20875875
2-[4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazin-1-yl]acetic acid
CID 102534128
4-benzyl-2-[2-(diethylamino)ethyl]phthalazin-1-one
CID 3529139
2-[2-[2,2,3,3,5,5,6,6-octadeuterio-4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one
CID 171381922
2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]acetic acid
CID 153189612
2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-propan-2-ylacetamide
CID 6622629
4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylic acid
CID 2386911
(1E)-N-[2-(4-benzyl-1-oxophthalazin-2-yl)acetyl]-4-methylbenzenecarbohydrazonoyl chloride
CID 10694625

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]phthalazin-1-one?
The IUPAC name of 4-benzyl-2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]phthalazin-1-one (CID 146044386) is 4-benzyl-2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]phthalazin-1-one.
What is the SMILES notation for 4-benzyl-2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]phthalazin-1-one?
The canonical SMILES for 4-benzyl-2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]phthalazin-1-one is CN1CC2(C1)CN(C(=O)Cn1nc(Cc3ccccc3)c3ccccc3c1=O)C2.
What is the InChIKey of 4-benzyl-2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]phthalazin-1-one?
The InChIKey is UQADALHLNHGZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-25-13-23(14-25)15-26(16-23)21(28)12-27-22(29)19-10-6-5-9-18(19)20(24-27)11-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3.
What are the key properties of 4-benzyl-2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]phthalazin-1-one?
4-benzyl-2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]phthalazin-1-one has a molecular weight of 388.47 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]phthalazin-1-one is sourced from PubChem (CID 146044386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).