1-morpholin-4-yl-2-phthalazin-1-ylsulfanylethanone

C14H15N3O2S — CID 740778

IUPAC1-morpholin-4-yl-2-phthalazin-1-ylsulfanylethanone
SMILESO=C(CSc1nncc2ccccc12)N1CCOCC1
InChIInChI=1S/C14H15N3O2S/c18-13(17-5-7-19-8-6-17)10-20-14-12-4-2-1-3-11(12)9-15-16-14/h1-4,9H,5-8,10H2
InChIKeyKZKVIYAMJGKZFL-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.58
Rot. Bonds3

About 1-morpholin-4-yl-2-phthalazin-1-ylsulfanylethanone

1-morpholin-4-yl-2-phthalazin-1-ylsulfanylethanone (PubChem CID 740778) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-phthalazin-1-ylsulfanylethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-phthalazin-1-ylsulfanylethanone
PubChem CID740778
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name1-morpholin-4-yl-2-phthalazin-1-ylsulfanylethanone
SMILESO=C(CSc1nncc2ccccc12)N1CCOCC1
InChIInChI=1S/C14H15N3O2S/c18-13(17-5-7-19-8-6-17)10-20-14-12-4-2-1-3-11(12)9-15-16-14/h1-4,9H,5-8,10H2
InChIKeyKZKVIYAMJGKZFL-UHFFFAOYSA-N
XLogP1.58
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-phthalazin-1-ylsulfanylethanone?
The IUPAC name of 1-morpholin-4-yl-2-phthalazin-1-ylsulfanylethanone (CID 740778) is 1-morpholin-4-yl-2-phthalazin-1-ylsulfanylethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-phthalazin-1-ylsulfanylethanone?
The canonical SMILES for 1-morpholin-4-yl-2-phthalazin-1-ylsulfanylethanone is O=C(CSc1nncc2ccccc12)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-phthalazin-1-ylsulfanylethanone?
The InChIKey is KZKVIYAMJGKZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c18-13(17-5-7-19-8-6-17)10-20-14-12-4-2-1-3-11(12)9-15-16-14/h1-4,9H,5-8,10H2.
What are the key properties of 1-morpholin-4-yl-2-phthalazin-1-ylsulfanylethanone?
1-morpholin-4-yl-2-phthalazin-1-ylsulfanylethanone has a molecular weight of 289.36 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-phthalazin-1-ylsulfanylethanone is sourced from PubChem (CID 740778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).