4-(morpholine-4-carbonyl)-2H-phthalazin-1-one

C13H13N3O3 — CID 659417

IUPAC4-(morpholine-4-carbonyl)-2H-phthalazin-1-one
SMILESO=C(c1n[nH]c(=O)c2ccccc12)N1CCOCC1
InChIInChI=1S/C13H13N3O3/c17-12-10-4-2-1-3-9(10)11(14-15-12)13(18)16-5-7-19-8-6-16/h1-4H,5-8H2,(H,15,17)
InChIKeyMBBJQTSNKDFMDU-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.40
Rot. Bonds1

About 4-(morpholine-4-carbonyl)-2H-phthalazin-1-one

4-(morpholine-4-carbonyl)-2H-phthalazin-1-one (PubChem CID 659417) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-(morpholine-4-carbonyl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(morpholine-4-carbonyl)-2H-phthalazin-1-one
PubChem CID659417
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name4-(morpholine-4-carbonyl)-2H-phthalazin-1-one
SMILESO=C(c1n[nH]c(=O)c2ccccc12)N1CCOCC1
InChIInChI=1S/C13H13N3O3/c17-12-10-4-2-1-3-9(10)11(14-15-12)13(18)16-5-7-19-8-6-16/h1-4H,5-8H2,(H,15,17)
InChIKeyMBBJQTSNKDFMDU-UHFFFAOYSA-N
XLogP0.40
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(morpholine-4-carbonyl)-2H-phthalazin-1-one?
The IUPAC name of 4-(morpholine-4-carbonyl)-2H-phthalazin-1-one (CID 659417) is 4-(morpholine-4-carbonyl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(morpholine-4-carbonyl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(morpholine-4-carbonyl)-2H-phthalazin-1-one is O=C(c1n[nH]c(=O)c2ccccc12)N1CCOCC1.
What is the InChIKey of 4-(morpholine-4-carbonyl)-2H-phthalazin-1-one?
The InChIKey is MBBJQTSNKDFMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-12-10-4-2-1-3-9(10)11(14-15-12)13(18)16-5-7-19-8-6-16/h1-4H,5-8H2,(H,15,17).
What are the key properties of 4-(morpholine-4-carbonyl)-2H-phthalazin-1-one?
4-(morpholine-4-carbonyl)-2H-phthalazin-1-one has a molecular weight of 259.26 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholine-4-carbonyl)-2H-phthalazin-1-one is sourced from PubChem (CID 659417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).