4-(4-methylphenyl)-2-phenacylphthalazin-1-one

C23H18N2O2 — CID 22333322

IUPAC4-(4-methylphenyl)-2-phenacylphthalazin-1-one
SMILESCc1ccc(-c2nn(CC(=O)c3ccccc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C23H18N2O2/c1-16-11-13-18(14-12-16)22-19-9-5-6-10-20(19)23(27)25(24-22)15-21(26)17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyUPVRMZDGTNUKEW-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.25
Rot. Bonds4

About 4-(4-methylphenyl)-2-phenacylphthalazin-1-one

4-(4-methylphenyl)-2-phenacylphthalazin-1-one (PubChem CID 22333322) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-phenacylphthalazin-1-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-phenacylphthalazin-1-one
PubChem CID22333322
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name4-(4-methylphenyl)-2-phenacylphthalazin-1-one
SMILESCc1ccc(-c2nn(CC(=O)c3ccccc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C23H18N2O2/c1-16-11-13-18(14-12-16)22-19-9-5-6-10-20(19)23(27)25(24-22)15-21(26)17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyUPVRMZDGTNUKEW-UHFFFAOYSA-N
XLogP4.25
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)-2-phenacylphthalazin-1-one
CID 22333327
3-phenacyl-2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10,12,14-heptaen-4-one
CID 2059749
2-(1-oxo-4-phenylphthalazin-2-yl)acetate
CID 4052053
ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate
CID 895376
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431
N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1417632
N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1385157
ethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate
CID 5204002
3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-propylpropanamide
CID 2024185
2-phenacylphthalazin-1-one
CID 60774188
N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 5008520
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(2-methylphenyl)acetamide
CID 1080053

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-phenacylphthalazin-1-one?
The IUPAC name of 4-(4-methylphenyl)-2-phenacylphthalazin-1-one (CID 22333322) is 4-(4-methylphenyl)-2-phenacylphthalazin-1-one.
What is the SMILES notation for 4-(4-methylphenyl)-2-phenacylphthalazin-1-one?
The canonical SMILES for 4-(4-methylphenyl)-2-phenacylphthalazin-1-one is Cc1ccc(-c2nn(CC(=O)c3ccccc3)c(=O)c3ccccc23)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-phenacylphthalazin-1-one?
The InChIKey is UPVRMZDGTNUKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-16-11-13-18(14-12-16)22-19-9-5-6-10-20(19)23(27)25(24-22)15-21(26)17-7-3-2-4-8-17/h2-14H,15H2,1H3.
What are the key properties of 4-(4-methylphenyl)-2-phenacylphthalazin-1-one?
4-(4-methylphenyl)-2-phenacylphthalazin-1-one has a molecular weight of 354.41 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-phenacylphthalazin-1-one is sourced from PubChem (CID 22333322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).