4-methyl-2-(2-oxobutyl)phthalazin-1-one

C13H14N2O2 — CID 70794390

IUPAC4-methyl-2-(2-oxobutyl)phthalazin-1-one
SMILESCCC(=O)Cn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C13H14N2O2/c1-3-10(16)8-15-13(17)12-7-5-4-6-11(12)9(2)14-15/h4-7H,3,8H2,1-2H3
InChIKeyQMKFYSSVYLNNMB-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.68
Rot. Bonds3

About 4-methyl-2-(2-oxobutyl)phthalazin-1-one

4-methyl-2-(2-oxobutyl)phthalazin-1-one (PubChem CID 70794390) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-methyl-2-(2-oxobutyl)phthalazin-1-one.

Molecular Properties

Compound Name4-methyl-2-(2-oxobutyl)phthalazin-1-one
PubChem CID70794390
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-methyl-2-(2-oxobutyl)phthalazin-1-one
SMILESCCC(=O)Cn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C13H14N2O2/c1-3-10(16)8-15-13(17)12-7-5-4-6-11(12)9(2)14-15/h4-7H,3,8H2,1-2H3
InChIKeyQMKFYSSVYLNNMB-UHFFFAOYSA-N
XLogP1.68
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560
2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide
CID 55390619
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849
N-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 29445219
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51208445
N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208434
2-(2-aminoethyl)-4-methylphthalazin-1-one
CID 121199498
N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857342
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 38295923
N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179223

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-oxobutyl)phthalazin-1-one?
The IUPAC name of 4-methyl-2-(2-oxobutyl)phthalazin-1-one (CID 70794390) is 4-methyl-2-(2-oxobutyl)phthalazin-1-one.
What is the SMILES notation for 4-methyl-2-(2-oxobutyl)phthalazin-1-one?
The canonical SMILES for 4-methyl-2-(2-oxobutyl)phthalazin-1-one is CCC(=O)Cn1nc(C)c2ccccc2c1=O.
What is the InChIKey of 4-methyl-2-(2-oxobutyl)phthalazin-1-one?
The InChIKey is QMKFYSSVYLNNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-3-10(16)8-15-13(17)12-7-5-4-6-11(12)9(2)14-15/h4-7H,3,8H2,1-2H3.
What are the key properties of 4-methyl-2-(2-oxobutyl)phthalazin-1-one?
4-methyl-2-(2-oxobutyl)phthalazin-1-one has a molecular weight of 230.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-oxobutyl)phthalazin-1-one is sourced from PubChem (CID 70794390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).