methyl 2-(2,3-diethyl-4-oxo-1H-phthalazin-1-yl)acetate

C15H20N2O3 — CID 25135958

IUPACmethyl 2-(2,3-diethyl-4-oxo-1H-phthalazin-1-yl)acetate
SMILESCCN1C(=O)c2ccccc2C(CC(=O)OC)N1CC
InChIInChI=1S/C15H20N2O3/c1-4-16-13(10-14(18)20-3)11-8-6-7-9-12(11)15(19)17(16)5-2/h6-9,13H,4-5,10H2,1-3H3
InChIKeyGNSYNXHTCRFTTF-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.00
Rot. Bonds4

About methyl 2-(2,3-diethyl-4-oxo-1H-phthalazin-1-yl)acetate

methyl 2-(2,3-diethyl-4-oxo-1H-phthalazin-1-yl)acetate (PubChem CID 25135958) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 2-(2,3-diethyl-4-oxo-1H-phthalazin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,3-diethyl-4-oxo-1H-phthalazin-1-yl)acetate
PubChem CID25135958
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 2-(2,3-diethyl-4-oxo-1H-phthalazin-1-yl)acetate
SMILESCCN1C(=O)c2ccccc2C(CC(=O)OC)N1CC
InChIInChI=1S/C15H20N2O3/c1-4-16-13(10-14(18)20-3)11-8-6-7-9-12(11)15(19)17(16)5-2/h6-9,13H,4-5,10H2,1-3H3
InChIKeyGNSYNXHTCRFTTF-UHFFFAOYSA-N
XLogP2.00
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,4-Dioxo-3,4-dihydro-1H-phthalazin-2-yl)-propionic acid isobutyl ester
CID 647169
(2-Acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
CID 2770902
hexyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate
CID 660956
2-Methyl-1,4-dihydropyridazino[1,2-b]phthalazine-6,11-dione
CID 899773
octyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate
CID 1904145
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylphthalazine-1,4-dione
CID 164618200
Ethyl 2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetate
CID 1139611
cyclohexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate
CID 651260
butyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate
CID 652550
Benzoic acid, 1-(3-methoxy-3-oxopropyl)-2,2-dimethylhydrazide
CID 13670212
methyl 3-(1,4-dioxo-3,4-dihydro-2(1H)-phthalazinyl)propanoate
CID 801520
Ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate
CID 872390

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-diethyl-4-oxo-1H-phthalazin-1-yl)acetate?
The IUPAC name of methyl 2-(2,3-diethyl-4-oxo-1H-phthalazin-1-yl)acetate (CID 25135958) is methyl 2-(2,3-diethyl-4-oxo-1H-phthalazin-1-yl)acetate.
What is the SMILES notation for methyl 2-(2,3-diethyl-4-oxo-1H-phthalazin-1-yl)acetate?
The canonical SMILES for methyl 2-(2,3-diethyl-4-oxo-1H-phthalazin-1-yl)acetate is CCN1C(=O)c2ccccc2C(CC(=O)OC)N1CC.
What is the InChIKey of methyl 2-(2,3-diethyl-4-oxo-1H-phthalazin-1-yl)acetate?
The InChIKey is GNSYNXHTCRFTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-16-13(10-14(18)20-3)11-8-6-7-9-12(11)15(19)17(16)5-2/h6-9,13H,4-5,10H2,1-3H3.
What are the key properties of methyl 2-(2,3-diethyl-4-oxo-1H-phthalazin-1-yl)acetate?
methyl 2-(2,3-diethyl-4-oxo-1H-phthalazin-1-yl)acetate has a molecular weight of 276.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-diethyl-4-oxo-1H-phthalazin-1-yl)acetate is sourced from PubChem (CID 25135958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).