4-[4-(4-methoxyphenyl)phthalazin-1-yl]morpholine

C19H19N3O2 — CID 6401297

IUPAC4-[4-(4-methoxyphenyl)phthalazin-1-yl]morpholine
SMILESCOc1ccc(-c2nnc(N3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O2/c1-23-15-8-6-14(7-9-15)18-16-4-2-3-5-17(16)19(21-20-18)22-10-12-24-13-11-22/h2-9H,10-13H2,1H3
InChIKeyIOEKIFTXCJCPCN-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.14
Rot. Bonds3

About 4-[4-(4-methoxyphenyl)phthalazin-1-yl]morpholine

4-[4-(4-methoxyphenyl)phthalazin-1-yl]morpholine (PubChem CID 6401297) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)phthalazin-1-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)phthalazin-1-yl]morpholine
PubChem CID6401297
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-[4-(4-methoxyphenyl)phthalazin-1-yl]morpholine
SMILESCOc1ccc(-c2nnc(N3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O2/c1-23-15-8-6-14(7-9-15)18-16-4-2-3-5-17(16)19(21-20-18)22-10-12-24-13-11-22/h2-9H,10-13H2,1H3
InChIKeyIOEKIFTXCJCPCN-UHFFFAOYSA-N
XLogP3.14
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-(4-methoxyphenyl)phthalazin-1-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)phthalazin-1-yl]morpholine?
The IUPAC name of 4-[4-(4-methoxyphenyl)phthalazin-1-yl]morpholine (CID 6401297) is 4-[4-(4-methoxyphenyl)phthalazin-1-yl]morpholine.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)phthalazin-1-yl]morpholine?
The canonical SMILES for 4-[4-(4-methoxyphenyl)phthalazin-1-yl]morpholine is COc1ccc(-c2nnc(N3CCOCC3)c3ccccc23)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)phthalazin-1-yl]morpholine?
The InChIKey is IOEKIFTXCJCPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-23-15-8-6-14(7-9-15)18-16-4-2-3-5-17(16)19(21-20-18)22-10-12-24-13-11-22/h2-9H,10-13H2,1H3.
What are the key properties of 4-[4-(4-methoxyphenyl)phthalazin-1-yl]morpholine?
4-[4-(4-methoxyphenyl)phthalazin-1-yl]morpholine has a molecular weight of 321.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)phthalazin-1-yl]morpholine is sourced from PubChem (CID 6401297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).