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

C14H15N3O3 — CID 969879

IUPAC2-methyl-4-(morpholine-4-carbonyl)phthalazin-1-one
SMILESCn1nc(C(=O)N2CCOCC2)c2ccccc2c1=O
InChIInChI=1S/C14H15N3O3/c1-16-13(18)11-5-3-2-4-10(11)12(15-16)14(19)17-6-8-20-9-7-17/h2-5H,6-9H2,1H3
InChIKeyMKKCHGNZQWUQFK-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.41
Rot. Bonds1

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

2-methyl-4-(morpholine-4-carbonyl)phthalazin-1-one (PubChem CID 969879) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-methyl-4-(morpholine-4-carbonyl)phthalazin-1-one.

Molecular Properties

Compound Name2-methyl-4-(morpholine-4-carbonyl)phthalazin-1-one
PubChem CID969879
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-methyl-4-(morpholine-4-carbonyl)phthalazin-1-one
SMILESCn1nc(C(=O)N2CCOCC2)c2ccccc2c1=O
InChIInChI=1S/C14H15N3O3/c1-16-13(18)11-5-3-2-4-10(11)12(15-16)14(19)17-6-8-20-9-7-17/h2-5H,6-9H2,1H3
InChIKeyMKKCHGNZQWUQFK-UHFFFAOYSA-N
XLogP0.41
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(morpholine-4-carbonyl)phthalazin-1-one?
The IUPAC name of 2-methyl-4-(morpholine-4-carbonyl)phthalazin-1-one (CID 969879) is 2-methyl-4-(morpholine-4-carbonyl)phthalazin-1-one.
What is the SMILES notation for 2-methyl-4-(morpholine-4-carbonyl)phthalazin-1-one?
The canonical SMILES for 2-methyl-4-(morpholine-4-carbonyl)phthalazin-1-one is Cn1nc(C(=O)N2CCOCC2)c2ccccc2c1=O.
What is the InChIKey of 2-methyl-4-(morpholine-4-carbonyl)phthalazin-1-one?
The InChIKey is MKKCHGNZQWUQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-16-13(18)11-5-3-2-4-10(11)12(15-16)14(19)17-6-8-20-9-7-17/h2-5H,6-9H2,1H3.
What are the key properties of 2-methyl-4-(morpholine-4-carbonyl)phthalazin-1-one?
2-methyl-4-(morpholine-4-carbonyl)phthalazin-1-one has a molecular weight of 273.29 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(morpholine-4-carbonyl)phthalazin-1-one is sourced from PubChem (CID 969879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).