4-methoxy-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide

C18H16N4O4 — CID 21213715

IUPAC4-methoxy-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C18H16N4O4/c1-26-12-8-6-11(7-9-12)17(24)21-20-16(23)10-15-13-4-2-3-5-14(13)18(25)22-19-15/h2-9H,10H2,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyFSDUFQUAJBWJGU-UHFFFAOYSA-N
MW352.35 g/mol
LogP0.94
Rot. Bonds4

About 4-methoxy-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide

4-methoxy-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide (PubChem CID 21213715) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 4-methoxy-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-methoxy-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide
PubChem CID21213715
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name4-methoxy-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C18H16N4O4/c1-26-12-8-6-11(7-9-12)17(24)21-20-16(23)10-15-13-4-2-3-5-14(13)18(25)22-19-15/h2-9H,10H2,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyFSDUFQUAJBWJGU-UHFFFAOYSA-N
XLogP0.94
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methoxy-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-methoxyphenoxy)methyl]-2H-phthalazin-1-one
CID 15358728
N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]furan-2-carbohydrazide
CID 2547939
2-fluoro-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide
CID 21213678
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9269367
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
4-methoxy-N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]benzenesulfonamide
CID 18164851
2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734356
4-methoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 26163580
(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533
N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-propan-2-yloxybenzamide
CID 7185885
1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699
N-naphthalen-1-yl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17403437

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide?
The IUPAC name of 4-methoxy-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide (CID 21213715) is 4-methoxy-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide.
What is the SMILES notation for 4-methoxy-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide?
The canonical SMILES for 4-methoxy-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide is COc1ccc(C(=O)NNC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1.
What is the InChIKey of 4-methoxy-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide?
The InChIKey is FSDUFQUAJBWJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-26-12-8-6-11(7-9-12)17(24)21-20-16(23)10-15-13-4-2-3-5-14(13)18(25)22-19-15/h2-9H,10H2,1H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of 4-methoxy-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide?
4-methoxy-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide has a molecular weight of 352.35 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide is sourced from PubChem (CID 21213715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).