N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-morpholin-4-ylacetamide

C14H16N4O4 — CID 3041661

IUPACN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C14H16N4O4/c19-11(8-18-4-6-22-7-5-18)15-10-3-1-2-9-12(10)14(21)17-16-13(9)20/h1-3H,4-8H2,(H,15,19)(H,16,20)(H,17,21)
InChIKeyHUPLKFHCNLHSKZ-UHFFFAOYSA-N
MW304.31 g/mol
LogP-0.51
Rot. Bonds3

About N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-morpholin-4-ylacetamide

N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-morpholin-4-ylacetamide (PubChem CID 3041661) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-morpholin-4-ylacetamide
PubChem CID3041661
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC NameN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C14H16N4O4/c19-11(8-18-4-6-22-7-5-18)15-10-3-1-2-9-12(10)14(21)17-16-13(9)20/h1-3H,4-8H2,(H,15,19)(H,16,20)(H,17,21)
InChIKeyHUPLKFHCNLHSKZ-UHFFFAOYSA-N
XLogP-0.51
TPSA107.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-morpholin-4-ylacetamide (CID 3041661) is N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1cccc2c(=O)[nH][nH]c(=O)c12.
What is the InChIKey of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-morpholin-4-ylacetamide?
The InChIKey is HUPLKFHCNLHSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c19-11(8-18-4-6-22-7-5-18)15-10-3-1-2-9-12(10)14(21)17-16-13(9)20/h1-3H,4-8H2,(H,15,19)(H,16,20)(H,17,21).
What are the key properties of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-morpholin-4-ylacetamide?
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-morpholin-4-ylacetamide has a molecular weight of 304.31 g/mol, XLogP of -0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 3041661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).