4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one

C18H15N3O2 — CID 24503340

IUPAC4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one
SMILESO=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCC1
InChIInChI=1S/C18H15N3O2/c22-17-15-10-5-4-9-14(15)16(18(23)20-11-6-12-20)19-21(17)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2
InChIKeyVZSVDDAHSLYZLM-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.23
Rot. Bonds2

About 4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one

4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one (PubChem CID 24503340) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one
PubChem CID24503340
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one
SMILESO=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCC1
InChIInChI=1S/C18H15N3O2/c22-17-15-10-5-4-9-14(15)16(18(23)20-11-6-12-20)19-21(17)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2
InChIKeyVZSVDDAHSLYZLM-UHFFFAOYSA-N
XLogP2.23
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one?
The IUPAC name of 4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one (CID 24503340) is 4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one?
The canonical SMILES for 4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one is O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCC1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one?
The InChIKey is VZSVDDAHSLYZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-17-15-10-5-4-9-14(15)16(18(23)20-11-6-12-20)19-21(17)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2.
What are the key properties of 4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one?
4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one has a molecular weight of 305.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one is sourced from PubChem (CID 24503340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).