4-[2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethyl]morpholine

C21H23N3O2 — CID 663149

IUPAC4-[2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethyl]morpholine
SMILESCc1ccc(-c2nnc(OCCN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C21H23N3O2/c1-16-6-8-17(9-7-16)20-18-4-2-3-5-19(18)21(23-22-20)26-15-12-24-10-13-25-14-11-24/h2-9H,10-15H2,1H3
InChIKeyCPXUZYSWPZWHNJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.32
Rot. Bonds5

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

4-[2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethyl]morpholine (PubChem CID 663149) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethyl]morpholine
PubChem CID663149
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-[2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethyl]morpholine
SMILESCc1ccc(-c2nnc(OCCN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C21H23N3O2/c1-16-6-8-17(9-7-16)20-18-4-2-3-5-19(18)21(23-22-20)26-15-12-24-10-13-25-14-11-24/h2-9H,10-15H2,1H3
InChIKeyCPXUZYSWPZWHNJ-UHFFFAOYSA-N
XLogP3.32
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethyl]morpholine (CID 663149) is 4-[2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethyl]morpholine is Cc1ccc(-c2nnc(OCCN3CCOCC3)c3ccccc23)cc1.
What is the InChIKey of 4-[2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethyl]morpholine?
The InChIKey is CPXUZYSWPZWHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16-6-8-17(9-7-16)20-18-4-2-3-5-19(18)21(23-22-20)26-15-12-24-10-13-25-14-11-24/h2-9H,10-15H2,1H3.
What are the key properties of 4-[2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethyl]morpholine?
4-[2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethyl]morpholine has a molecular weight of 349.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-methylphenyl)phthalazin-1-yl]oxyethyl]morpholine is sourced from PubChem (CID 663149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).