3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide

C19H16N4O4 — CID 86872777

IUPAC3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide
SMILESO=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc2c(c1)C(=O)NC2
InChIInChI=1S/C19H16N4O4/c24-16(21-12-6-5-11-10-20-17(25)15(11)9-12)7-8-23-19(27)14-4-2-1-3-13(14)18(26)22-23/h1-6,9H,7-8,10H2,(H,20,25)(H,21,24)(H,22,26)
InChIKeyGDQJEPDTHXPKQC-UHFFFAOYSA-N
MW364.36 g/mol
LogP0.96
Rot. Bonds4

About 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide

3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide (PubChem CID 86872777) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide.

Molecular Properties

Compound Name3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide
PubChem CID86872777
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide
SMILESO=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc2c(c1)C(=O)NC2
InChIInChI=1S/C19H16N4O4/c24-16(21-12-6-5-11-10-20-17(25)15(11)9-12)7-8-23-19(27)14-4-2-1-3-13(14)18(26)22-23/h1-6,9H,7-8,10H2,(H,20,25)(H,21,24)(H,22,26)
InChIKeyGDQJEPDTHXPKQC-UHFFFAOYSA-N
XLogP0.96
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide?
The IUPAC name of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide (CID 86872777) is 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide.
What is the SMILES notation for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide?
The canonical SMILES for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide is O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc2c(c1)C(=O)NC2.
What is the InChIKey of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide?
The InChIKey is GDQJEPDTHXPKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c24-16(21-12-6-5-11-10-20-17(25)15(11)9-12)7-8-23-19(27)14-4-2-1-3-13(14)18(26)22-23/h1-6,9H,7-8,10H2,(H,20,25)(H,21,24)(H,22,26).
What are the key properties of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide?
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide has a molecular weight of 364.36 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide is sourced from PubChem (CID 86872777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).