4-[2-(4-phenylphthalazin-1-yl)oxyethyl]morpholine

C20H21N3O2 — CID 662348

IUPAC4-[2-(4-phenylphthalazin-1-yl)oxyethyl]morpholine
SMILESc1ccc(-c2nnc(OCCN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C20H21N3O2/c1-2-6-16(7-3-1)19-17-8-4-5-9-18(17)20(22-21-19)25-15-12-23-10-13-24-14-11-23/h1-9H,10-15H2
InChIKeyCQKCKEDVCMYIKZ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.01
Rot. Bonds5

About 4-[2-(4-phenylphthalazin-1-yl)oxyethyl]morpholine

4-[2-(4-phenylphthalazin-1-yl)oxyethyl]morpholine (PubChem CID 662348) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-[2-(4-phenylphthalazin-1-yl)oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-phenylphthalazin-1-yl)oxyethyl]morpholine
PubChem CID662348
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-[2-(4-phenylphthalazin-1-yl)oxyethyl]morpholine
SMILESc1ccc(-c2nnc(OCCN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C20H21N3O2/c1-2-6-16(7-3-1)19-17-8-4-5-9-18(17)20(22-21-19)25-15-12-23-10-13-24-14-11-23/h1-9H,10-15H2
InChIKeyCQKCKEDVCMYIKZ-UHFFFAOYSA-N
XLogP3.01
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-phenylphthalazin-1-yl)oxyethyl]morpholine?
The IUPAC name of 4-[2-(4-phenylphthalazin-1-yl)oxyethyl]morpholine (CID 662348) is 4-[2-(4-phenylphthalazin-1-yl)oxyethyl]morpholine.
What is the SMILES notation for 4-[2-(4-phenylphthalazin-1-yl)oxyethyl]morpholine?
The canonical SMILES for 4-[2-(4-phenylphthalazin-1-yl)oxyethyl]morpholine is c1ccc(-c2nnc(OCCN3CCOCC3)c3ccccc23)cc1.
What is the InChIKey of 4-[2-(4-phenylphthalazin-1-yl)oxyethyl]morpholine?
The InChIKey is CQKCKEDVCMYIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-6-16(7-3-1)19-17-8-4-5-9-18(17)20(22-21-19)25-15-12-23-10-13-24-14-11-23/h1-9H,10-15H2.
What are the key properties of 4-[2-(4-phenylphthalazin-1-yl)oxyethyl]morpholine?
4-[2-(4-phenylphthalazin-1-yl)oxyethyl]morpholine has a molecular weight of 335.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-phenylphthalazin-1-yl)oxyethyl]morpholine is sourced from PubChem (CID 662348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).