4-benzyl-2,6-dimethylphthalazin-1-one

C17H16N2O — CID 15959130

IUPAC4-benzyl-2,6-dimethylphthalazin-1-one
SMILESCc1ccc2c(=O)n(C)nc(Cc3ccccc3)c2c1
InChIInChI=1S/C17H16N2O/c1-12-8-9-14-15(10-12)16(18-19(2)17(14)20)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyJEXBJIJIHQEMMA-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.83
Rot. Bonds2

About 4-benzyl-2,6-dimethylphthalazin-1-one

4-benzyl-2,6-dimethylphthalazin-1-one (PubChem CID 15959130) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-benzyl-2,6-dimethylphthalazin-1-one.

Molecular Properties

Compound Name4-benzyl-2,6-dimethylphthalazin-1-one
PubChem CID15959130
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-benzyl-2,6-dimethylphthalazin-1-one
SMILESCc1ccc2c(=O)n(C)nc(Cc3ccccc3)c2c1
InChIInChI=1S/C17H16N2O/c1-12-8-9-14-15(10-12)16(18-19(2)17(14)20)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyJEXBJIJIHQEMMA-UHFFFAOYSA-N
XLogP2.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-6,7-dichloro-2-methylphthalazin-1-one
CID 15959100
4-[(3,4-dichlorophenyl)methyl]-2-methylphthalazin-1-one
CID 15959114
4-ethyl-2-methylphthalazin-1-one
CID 58923354
4-benzyl-2-ethylphthalazin-1-one
CID 18336950
2-methyl-1-oxo-4-[[4-(sulfinoamino)phenyl]methyl]phthalazine
CID 166523668
4-(aminomethyl)-2-methylphthalazin-1-one
CID 589800
5-benzyl-2,9-dimethylphenanthridin-6-one
CID 86257513
4-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylphthalazin-1-one
CID 564095
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylmethanesulfonamide
CID 71779496
4-benzyl-2-[2-(diethylamino)ethyl]phthalazin-1-one
CID 3529139
3,6-dimethyl-1,2,3-benzotriazin-4-one
CID 122431911
3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489923

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2,6-dimethylphthalazin-1-one?
The IUPAC name of 4-benzyl-2,6-dimethylphthalazin-1-one (CID 15959130) is 4-benzyl-2,6-dimethylphthalazin-1-one.
What is the SMILES notation for 4-benzyl-2,6-dimethylphthalazin-1-one?
The canonical SMILES for 4-benzyl-2,6-dimethylphthalazin-1-one is Cc1ccc2c(=O)n(C)nc(Cc3ccccc3)c2c1.
What is the InChIKey of 4-benzyl-2,6-dimethylphthalazin-1-one?
The InChIKey is JEXBJIJIHQEMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-8-9-14-15(10-12)16(18-19(2)17(14)20)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3.
What are the key properties of 4-benzyl-2,6-dimethylphthalazin-1-one?
4-benzyl-2,6-dimethylphthalazin-1-one has a molecular weight of 264.33 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2,6-dimethylphthalazin-1-one is sourced from PubChem (CID 15959130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).