2-(1-oxo-4-phenylphthalazin-2-yl)acetate

C16H11N2O3- — CID 4052053

IUPAC2-(1-oxo-4-phenylphthalazin-2-yl)acetate
SMILESO=C([O-])Cn1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C16H12N2O3/c19-14(20)10-18-16(21)13-9-5-4-8-12(13)15(17-18)11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20)/p-1
InChIKeyGYXUGIHFRFKEMD-UHFFFAOYSA-M
MW279.28 g/mol
LogP0.81
Rot. Bonds3

About 2-(1-oxo-4-phenylphthalazin-2-yl)acetate

2-(1-oxo-4-phenylphthalazin-2-yl)acetate (PubChem CID 4052053) has the molecular formula C16H11N2O3- and a molecular weight of 279.28 g/mol. Its IUPAC name is 2-(1-oxo-4-phenylphthalazin-2-yl)acetate.

Molecular Properties

Compound Name2-(1-oxo-4-phenylphthalazin-2-yl)acetate
PubChem CID4052053
Molecular FormulaC16H11N2O3-
Molecular Weight279.28 g/mol
Exact Mass279.08
IUPAC Name2-(1-oxo-4-phenylphthalazin-2-yl)acetate
SMILESO=C([O-])Cn1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C16H12N2O3/c19-14(20)10-18-16(21)13-9-5-4-8-12(13)15(17-18)11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20)/p-1
InChIKeyGYXUGIHFRFKEMD-UHFFFAOYSA-M
XLogP0.81
TPSA75.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethyl-1-oxophthalazin-2-yl)acetate
CID 6946724
4-(4-methylphenyl)-2-phenacylphthalazin-1-one
CID 22333322
4-(4-bromophenyl)-2-phenacylphthalazin-1-one
CID 22333327
N-ethyl-N-(2-methylprop-2-enyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
CID 50976165
2-(2-hydroxyethoxymethyl)-4-phenylphthalazin-1-one
CID 139231441
N-methyl-2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 70782826
2-[2-[(4S)-4-aminoazepan-1-yl]-2-oxoethyl]-4-phenylphthalazin-1-one
CID 95711456
2-acetyl-4-(4-phenylphenyl)phthalazin-1-one
CID 14591946
dimethyl-[2-(1-oxo-4-phenylphthalazin-2-yl)ethyl]azanium chloride
CID 43834263
2-(oxiran-2-ylmethyl)-4-phenylphthalazin-1-one
CID 19590659
N,N-diethyl-4-[[2-(1-oxo-4-phenylphthalazin-2-yl)acetyl]amino]benzamide
CID 1080064
N-naphthalen-1-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide
CID 1085033

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-4-phenylphthalazin-2-yl)acetate?
The IUPAC name of 2-(1-oxo-4-phenylphthalazin-2-yl)acetate (CID 4052053) is 2-(1-oxo-4-phenylphthalazin-2-yl)acetate.
What is the SMILES notation for 2-(1-oxo-4-phenylphthalazin-2-yl)acetate?
The canonical SMILES for 2-(1-oxo-4-phenylphthalazin-2-yl)acetate is O=C([O-])Cn1nc(-c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 2-(1-oxo-4-phenylphthalazin-2-yl)acetate?
The InChIKey is GYXUGIHFRFKEMD-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H12N2O3/c19-14(20)10-18-16(21)13-9-5-4-8-12(13)15(17-18)11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20)/p-1.
What are the key properties of 2-(1-oxo-4-phenylphthalazin-2-yl)acetate?
2-(1-oxo-4-phenylphthalazin-2-yl)acetate has a molecular weight of 279.28 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-4-phenylphthalazin-2-yl)acetate is sourced from PubChem (CID 4052053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).