4-(4-benzylphthalazin-1-yl)morpholine

C19H19N3O — CID 6404567

IUPAC4-(4-benzylphthalazin-1-yl)morpholine
SMILESc1ccc(Cc2nnc(N3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O/c1-2-6-15(7-3-1)14-18-16-8-4-5-9-17(16)19(21-20-18)22-10-12-23-13-11-22/h1-9H,10-14H2
InChIKeyKUONNKNGTOXYDF-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.06
Rot. Bonds3

About 4-(4-benzylphthalazin-1-yl)morpholine

4-(4-benzylphthalazin-1-yl)morpholine (PubChem CID 6404567) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(4-benzylphthalazin-1-yl)morpholine.

Molecular Properties

Compound Name4-(4-benzylphthalazin-1-yl)morpholine
PubChem CID6404567
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name4-(4-benzylphthalazin-1-yl)morpholine
SMILESc1ccc(Cc2nnc(N3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O/c1-2-6-15(7-3-1)14-18-16-8-4-5-9-17(16)19(21-20-18)22-10-12-23-13-11-22/h1-9H,10-14H2
InChIKeyKUONNKNGTOXYDF-UHFFFAOYSA-N
XLogP3.06
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylphthalazin-1-yl)morpholine?
The IUPAC name of 4-(4-benzylphthalazin-1-yl)morpholine (CID 6404567) is 4-(4-benzylphthalazin-1-yl)morpholine.
What is the SMILES notation for 4-(4-benzylphthalazin-1-yl)morpholine?
The canonical SMILES for 4-(4-benzylphthalazin-1-yl)morpholine is c1ccc(Cc2nnc(N3CCOCC3)c3ccccc23)cc1.
What is the InChIKey of 4-(4-benzylphthalazin-1-yl)morpholine?
The InChIKey is KUONNKNGTOXYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-2-6-15(7-3-1)14-18-16-8-4-5-9-17(16)19(21-20-18)22-10-12-23-13-11-22/h1-9H,10-14H2.
What are the key properties of 4-(4-benzylphthalazin-1-yl)morpholine?
4-(4-benzylphthalazin-1-yl)morpholine has a molecular weight of 305.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylphthalazin-1-yl)morpholine is sourced from PubChem (CID 6404567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).