4-(7-morpholin-4-yl-1,4-diphenylphthalazin-6-yl)morpholine

C28H28N4O2 — CID 134914705

IUPAC4-(7-morpholin-4-yl-1,4-diphenylphthalazin-6-yl)morpholine
SMILESc1ccc(-c2nnc(-c3ccccc3)c3cc(N4CCOCC4)c(N4CCOCC4)cc23)cc1
InChIInChI=1S/C28H28N4O2/c1-3-7-21(8-4-1)27-23-19-25(31-11-15-33-16-12-31)26(32-13-17-34-18-14-32)20-24(23)28(30-29-27)22-9-5-2-6-10-22/h1-10,19-20H,11-18H2
InChIKeyJSERZUOATSJISG-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.64
Rot. Bonds4

About 4-(7-morpholin-4-yl-1,4-diphenylphthalazin-6-yl)morpholine

4-(7-morpholin-4-yl-1,4-diphenylphthalazin-6-yl)morpholine (PubChem CID 134914705) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 4-(7-morpholin-4-yl-1,4-diphenylphthalazin-6-yl)morpholine.

Molecular Properties

Compound Name4-(7-morpholin-4-yl-1,4-diphenylphthalazin-6-yl)morpholine
PubChem CID134914705
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name4-(7-morpholin-4-yl-1,4-diphenylphthalazin-6-yl)morpholine
SMILESc1ccc(-c2nnc(-c3ccccc3)c3cc(N4CCOCC4)c(N4CCOCC4)cc23)cc1
InChIInChI=1S/C28H28N4O2/c1-3-7-21(8-4-1)27-23-19-25(31-11-15-33-16-12-31)26(32-13-17-34-18-14-32)20-24(23)28(30-29-27)22-9-5-2-6-10-22/h1-10,19-20H,11-18H2
InChIKeyJSERZUOATSJISG-UHFFFAOYSA-N
XLogP4.64
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(7-morpholin-4-yl-1,4-diphenylphthalazin-6-yl)morpholine?
The IUPAC name of 4-(7-morpholin-4-yl-1,4-diphenylphthalazin-6-yl)morpholine (CID 134914705) is 4-(7-morpholin-4-yl-1,4-diphenylphthalazin-6-yl)morpholine.
What is the SMILES notation for 4-(7-morpholin-4-yl-1,4-diphenylphthalazin-6-yl)morpholine?
The canonical SMILES for 4-(7-morpholin-4-yl-1,4-diphenylphthalazin-6-yl)morpholine is c1ccc(-c2nnc(-c3ccccc3)c3cc(N4CCOCC4)c(N4CCOCC4)cc23)cc1.
What is the InChIKey of 4-(7-morpholin-4-yl-1,4-diphenylphthalazin-6-yl)morpholine?
The InChIKey is JSERZUOATSJISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-3-7-21(8-4-1)27-23-19-25(31-11-15-33-16-12-31)26(32-13-17-34-18-14-32)20-24(23)28(30-29-27)22-9-5-2-6-10-22/h1-10,19-20H,11-18H2.
What are the key properties of 4-(7-morpholin-4-yl-1,4-diphenylphthalazin-6-yl)morpholine?
4-(7-morpholin-4-yl-1,4-diphenylphthalazin-6-yl)morpholine has a molecular weight of 452.56 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-morpholin-4-yl-1,4-diphenylphthalazin-6-yl)morpholine is sourced from PubChem (CID 134914705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).