(2-anilino-2-oxoethyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate

C18H15N3O4 — CID 7789870

IUPAC(2-anilino-2-oxoethyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate
SMILESO=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)Nc1ccccc1
InChIInChI=1S/C18H15N3O4/c22-16(19-12-6-2-1-3-7-12)11-25-17(23)10-15-13-8-4-5-9-14(13)18(24)21-20-15/h1-9H,10-11H2,(H,19,22)(H,21,24)
InChIKeyPXGDHSBHTQSGAY-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.65
Rot. Bonds5

About (2-anilino-2-oxoethyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate

(2-anilino-2-oxoethyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate (PubChem CID 7789870) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate
PubChem CID7789870
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name(2-anilino-2-oxoethyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate
SMILESO=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)Nc1ccccc1
InChIInChI=1S/C18H15N3O4/c22-16(19-12-6-2-1-3-7-12)11-25-17(23)10-15-13-8-4-5-9-14(13)18(24)21-20-15/h1-9H,10-11H2,(H,19,22)(H,21,24)
InChIKeyPXGDHSBHTQSGAY-UHFFFAOYSA-N
XLogP1.65
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 8832838
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251476
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7432641
[2-(2-methoxyanilino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251522
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789862
[2-(2-cyanoanilino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251491
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251322
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251529
ethyl 2-[[2-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]oxyacetyl]amino]benzoate
CID 7251533
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789692
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251515
[2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7489324

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate (CID 7789870) is (2-anilino-2-oxoethyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate is O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate?
The InChIKey is PXGDHSBHTQSGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c22-16(19-12-6-2-1-3-7-12)11-25-17(23)10-15-13-8-4-5-9-14(13)18(24)21-20-15/h1-9H,10-11H2,(H,19,22)(H,21,24).
What are the key properties of (2-anilino-2-oxoethyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate?
(2-anilino-2-oxoethyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate has a molecular weight of 337.34 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate is sourced from PubChem (CID 7789870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).