(1,3-dioxoisoindol-2-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate

C20H15N3O5 — CID 43030032

IUPAC(1,3-dioxoisoindol-2-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate
SMILESCn1nc(CC(=O)OCN2C(=O)c3ccccc3C2=O)c2ccccc2c1=O
InChIInChI=1S/C20H15N3O5/c1-22-18(25)13-7-3-2-6-12(13)16(21-22)10-17(24)28-11-23-19(26)14-8-4-5-9-15(14)20(23)27/h2-9H,10-11H2,1H3
InChIKeyMFEWQIDRWGSTKP-UHFFFAOYSA-N
MW377.36 g/mol
LogP1.27
Rot. Bonds4

About (1,3-dioxoisoindol-2-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate

(1,3-dioxoisoindol-2-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate (PubChem CID 43030032) has the molecular formula C20H15N3O5 and a molecular weight of 377.36 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate
PubChem CID43030032
Molecular FormulaC20H15N3O5
Molecular Weight377.36 g/mol
Exact Mass377.10
IUPAC Name(1,3-dioxoisoindol-2-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate
SMILESCn1nc(CC(=O)OCN2C(=O)c3ccccc3C2=O)c2ccccc2c1=O
InChIInChI=1S/C20H15N3O5/c1-22-18(25)13-7-3-2-6-12(13)16(21-22)10-17(24)28-11-23-19(26)14-8-4-5-9-15(14)20(23)27/h2-9H,10-11H2,1H3
InChIKeyMFEWQIDRWGSTKP-UHFFFAOYSA-N
XLogP1.27
TPSA98.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate?
The IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate (CID 43030032) is (1,3-dioxoisoindol-2-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate is Cn1nc(CC(=O)OCN2C(=O)c3ccccc3C2=O)c2ccccc2c1=O.
What is the InChIKey of (1,3-dioxoisoindol-2-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate?
The InChIKey is MFEWQIDRWGSTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O5/c1-22-18(25)13-7-3-2-6-12(13)16(21-22)10-17(24)28-11-23-19(26)14-8-4-5-9-15(14)20(23)27/h2-9H,10-11H2,1H3.
What are the key properties of (1,3-dioxoisoindol-2-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate?
(1,3-dioxoisoindol-2-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate has a molecular weight of 377.36 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate is sourced from PubChem (CID 43030032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).