N'-(5-bromo-2-hydroxybenzoyl)-4-oxo-3H-phthalazine-1-carbohydrazide

C16H11BrN4O4 — CID 27163402

IUPACN'-(5-bromo-2-hydroxybenzoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
SMILESO=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1cc(Br)ccc1O
InChIInChI=1S/C16H11BrN4O4/c17-8-5-6-12(22)11(7-8)15(24)20-21-16(25)13-9-3-1-2-4-10(9)14(23)19-18-13/h1-7,22H,(H,19,23)(H,20,24)(H,21,25)
InChIKeyMAAGYBPMVKFVPA-UHFFFAOYSA-N
MW403.19 g/mol
LogP1.47
Rot. Bonds2

About N'-(5-bromo-2-hydroxybenzoyl)-4-oxo-3H-phthalazine-1-carbohydrazide

N'-(5-bromo-2-hydroxybenzoyl)-4-oxo-3H-phthalazine-1-carbohydrazide (PubChem CID 27163402) has the molecular formula C16H11BrN4O4 and a molecular weight of 403.19 g/mol. Its IUPAC name is N'-(5-bromo-2-hydroxybenzoyl)-4-oxo-3H-phthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(5-bromo-2-hydroxybenzoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
PubChem CID27163402
Molecular FormulaC16H11BrN4O4
Molecular Weight403.19 g/mol
Exact Mass402.00
IUPAC NameN'-(5-bromo-2-hydroxybenzoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
SMILESO=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1cc(Br)ccc1O
InChIInChI=1S/C16H11BrN4O4/c17-8-5-6-12(22)11(7-8)15(24)20-21-16(25)13-9-3-1-2-4-10(9)14(23)19-18-13/h1-7,22H,(H,19,23)(H,20,24)(H,21,25)
InChIKeyMAAGYBPMVKFVPA-UHFFFAOYSA-N
XLogP1.47
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.19
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(5-bromo-2-hydroxybenzoyl)-4-oxo-3H-phthalazine-1-carbohydrazide 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 N'-(5-bromo-2-hydroxybenzoyl)-4-oxo-3H-phthalazine-1-carbohydrazide?
The IUPAC name of N'-(5-bromo-2-hydroxybenzoyl)-4-oxo-3H-phthalazine-1-carbohydrazide (CID 27163402) is N'-(5-bromo-2-hydroxybenzoyl)-4-oxo-3H-phthalazine-1-carbohydrazide.
What is the SMILES notation for N'-(5-bromo-2-hydroxybenzoyl)-4-oxo-3H-phthalazine-1-carbohydrazide?
The canonical SMILES for N'-(5-bromo-2-hydroxybenzoyl)-4-oxo-3H-phthalazine-1-carbohydrazide is O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1cc(Br)ccc1O.
What is the InChIKey of N'-(5-bromo-2-hydroxybenzoyl)-4-oxo-3H-phthalazine-1-carbohydrazide?
The InChIKey is MAAGYBPMVKFVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4O4/c17-8-5-6-12(22)11(7-8)15(24)20-21-16(25)13-9-3-1-2-4-10(9)14(23)19-18-13/h1-7,22H,(H,19,23)(H,20,24)(H,21,25).
What are the key properties of N'-(5-bromo-2-hydroxybenzoyl)-4-oxo-3H-phthalazine-1-carbohydrazide?
N'-(5-bromo-2-hydroxybenzoyl)-4-oxo-3H-phthalazine-1-carbohydrazide has a molecular weight of 403.19 g/mol, XLogP of 1.47, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-hydroxybenzoyl)-4-oxo-3H-phthalazine-1-carbohydrazide is sourced from PubChem (CID 27163402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).