[(1R)-1-phenylethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate

C18H16N2O3 — CID 7789600

IUPAC[(1R)-1-phenylethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
SMILESC[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C18H16N2O3/c1-12(13-7-3-2-4-8-13)23-17(21)11-16-14-9-5-6-10-15(14)18(22)20-19-16/h2-10,12H,11H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyGYRLKUXCHKYIKB-GFCCVEGCSA-N
MW308.34 g/mol
LogP2.77
Rot. Bonds4

About [(1R)-1-phenylethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate

[(1R)-1-phenylethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate (PubChem CID 7789600) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is [(1R)-1-phenylethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate.

Molecular Properties

Compound Name[(1R)-1-phenylethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
PubChem CID7789600
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name[(1R)-1-phenylethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
SMILESC[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C18H16N2O3/c1-12(13-7-3-2-4-8-13)23-17(21)11-16-14-9-5-6-10-15(14)18(22)20-19-16/h2-10,12H,11H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyGYRLKUXCHKYIKB-GFCCVEGCSA-N
XLogP2.77
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 40609430
[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251419
[1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 16519931
[1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 42900397
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 42900383
butyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 14645870
[1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 16519899
(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533
[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789748
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789753
cyanomethyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251465
[(1S)-1-phenylethyl] 2-phenylacetate
CID 70824875

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenylethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate?
The IUPAC name of [(1R)-1-phenylethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate (CID 7789600) is [(1R)-1-phenylethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate.
What is the SMILES notation for [(1R)-1-phenylethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate?
The canonical SMILES for [(1R)-1-phenylethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate is C[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccccc1.
What is the InChIKey of [(1R)-1-phenylethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate?
The InChIKey is GYRLKUXCHKYIKB-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12(13-7-3-2-4-8-13)23-17(21)11-16-14-9-5-6-10-15(14)18(22)20-19-16/h2-10,12H,11H2,1H3,(H,20,22)/t12-/m1/s1.
What are the key properties of [(1R)-1-phenylethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate?
[(1R)-1-phenylethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate has a molecular weight of 308.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate is sourced from PubChem (CID 7789600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).