3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N'-hydroxybenzenecarboximidamide

C21H15FN4O2 — CID 155346138

IUPAC3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cccc(-c2nn(-c3ccc(F)cc3)c(=O)c3ccccc23)c1
InChIInChI=1S/C21H15FN4O2/c22-15-8-10-16(11-9-15)26-21(27)18-7-2-1-6-17(18)19(24-26)13-4-3-5-14(12-13)20(23)25-28/h1-12,28H,(H2,23,25)
InChIKeyQSMUHGOZDDVVRN-UHFFFAOYSA-N
MW374.38 g/mol
LogP3.29
Rot. Bonds3

About 3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N'-hydroxybenzenecarboximidamide

3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N'-hydroxybenzenecarboximidamide (PubChem CID 155346138) has the molecular formula C21H15FN4O2 and a molecular weight of 374.38 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N'-hydroxybenzenecarboximidamide
PubChem CID155346138
Molecular FormulaC21H15FN4O2
Molecular Weight374.38 g/mol
Exact Mass374.12
IUPAC Name3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cccc(-c2nn(-c3ccc(F)cc3)c(=O)c3ccccc23)c1
InChIInChI=1S/C21H15FN4O2/c22-15-8-10-16(11-9-15)26-21(27)18-7-2-1-6-17(18)19(24-26)13-4-3-5-14(12-13)20(23)25-28/h1-12,28H,(H2,23,25)
InChIKeyQSMUHGOZDDVVRN-UHFFFAOYSA-N
XLogP3.29
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N'-hydroxybenzenecarboximidamide 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 3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N'-hydroxybenzenecarboximidamide (CID 155346138) is 3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1cccc(-c2nn(-c3ccc(F)cc3)c(=O)c3ccccc23)c1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is QSMUHGOZDDVVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O2/c22-15-8-10-16(11-9-15)26-21(27)18-7-2-1-6-17(18)19(24-26)13-4-3-5-14(12-13)20(23)25-28/h1-12,28H,(H2,23,25).
What are the key properties of 3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N'-hydroxybenzenecarboximidamide?
3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 374.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 155346138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).