ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate

C14H16N2O3 — CID 872390

IUPACethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate
SMILESCCOC(=O)Cc1nn(CC)c(=O)c2ccccc12
InChIInChI=1S/C14H16N2O3/c1-3-16-14(18)11-8-6-5-7-10(11)12(15-16)9-13(17)19-4-2/h5-8H,3-4,9H2,1-2H3
InChIKeyRXYRKMSDCWZSRL-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.52
Rot. Bonds4

About ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate

ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate (PubChem CID 872390) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate
PubChem CID872390
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate
SMILESCCOC(=O)Cc1nn(CC)c(=O)c2ccccc12
InChIInChI=1S/C14H16N2O3/c1-3-16-14(18)11-8-6-5-7-10(11)12(15-16)9-13(17)19-4-2/h5-8H,3-4,9H2,1-2H3
InChIKeyRXYRKMSDCWZSRL-UHFFFAOYSA-N
XLogP1.52
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate?
The IUPAC name of ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate (CID 872390) is ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate is CCOC(=O)Cc1nn(CC)c(=O)c2ccccc12.
What is the InChIKey of ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate?
The InChIKey is RXYRKMSDCWZSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-16-14(18)11-8-6-5-7-10(11)12(15-16)9-13(17)19-4-2/h5-8H,3-4,9H2,1-2H3.
What are the key properties of ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate?
ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate has a molecular weight of 260.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate is sourced from PubChem (CID 872390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).