4-(2,6-dimethylmorpholin-4-yl)-2H-phthalazin-1-one

C14H17N3O2 — CID 12689529

IUPAC4-(2,6-dimethylmorpholin-4-yl)-2H-phthalazin-1-one
SMILESCC1CN(c2n[nH]c(=O)c3ccccc23)CC(C)O1
InChIInChI=1S/C14H17N3O2/c1-9-7-17(8-10(2)19-9)13-11-5-3-4-6-12(11)14(18)16-15-13/h3-6,9-10H,7-8H2,1-2H3,(H,16,18)
InChIKeyHTWLCOZPOOIXRO-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.54
Rot. Bonds1

About 4-(2,6-dimethylmorpholin-4-yl)-2H-phthalazin-1-one

4-(2,6-dimethylmorpholin-4-yl)-2H-phthalazin-1-one (PubChem CID 12689529) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)-2H-phthalazin-1-one
PubChem CID12689529
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)-2H-phthalazin-1-one
SMILESCC1CN(c2n[nH]c(=O)c3ccccc23)CC(C)O1
InChIInChI=1S/C14H17N3O2/c1-9-7-17(8-10(2)19-9)13-11-5-3-4-6-12(11)14(18)16-15-13/h3-6,9-10H,7-8H2,1-2H3,(H,16,18)
InChIKeyHTWLCOZPOOIXRO-UHFFFAOYSA-N
XLogP1.54
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-2H-phthalazin-1-one?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-2H-phthalazin-1-one (CID 12689529) is 4-(2,6-dimethylmorpholin-4-yl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)-2H-phthalazin-1-one is CC1CN(c2n[nH]c(=O)c3ccccc23)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)-2H-phthalazin-1-one?
The InChIKey is HTWLCOZPOOIXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-7-17(8-10(2)19-9)13-11-5-3-4-6-12(11)14(18)16-15-13/h3-6,9-10H,7-8H2,1-2H3,(H,16,18).
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)-2H-phthalazin-1-one?
4-(2,6-dimethylmorpholin-4-yl)-2H-phthalazin-1-one has a molecular weight of 259.31 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)-2H-phthalazin-1-one is sourced from PubChem (CID 12689529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).