N'-benzoyl-3-ethyl-4-oxophthalazine-1-carbohydrazide

C18H16N4O3 — CID 2674869

IUPACN'-benzoyl-3-ethyl-4-oxophthalazine-1-carbohydrazide
SMILESCCn1nc(C(=O)NNC(=O)c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C18H16N4O3/c1-2-22-18(25)14-11-7-6-10-13(14)15(21-22)17(24)20-19-16(23)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,19,23)(H,20,24)
InChIKeyVNYRDNIEPYCDSL-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.49
Rot. Bonds3

About N'-benzoyl-3-ethyl-4-oxophthalazine-1-carbohydrazide

N'-benzoyl-3-ethyl-4-oxophthalazine-1-carbohydrazide (PubChem CID 2674869) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N'-benzoyl-3-ethyl-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-3-ethyl-4-oxophthalazine-1-carbohydrazide
PubChem CID2674869
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN'-benzoyl-3-ethyl-4-oxophthalazine-1-carbohydrazide
SMILESCCn1nc(C(=O)NNC(=O)c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C18H16N4O3/c1-2-22-18(25)14-11-7-6-10-13(14)15(21-22)17(24)20-19-16(23)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,19,23)(H,20,24)
InChIKeyVNYRDNIEPYCDSL-UHFFFAOYSA-N
XLogP1.49
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-3-ethyl-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of N'-benzoyl-3-ethyl-4-oxophthalazine-1-carbohydrazide (CID 2674869) is N'-benzoyl-3-ethyl-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for N'-benzoyl-3-ethyl-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for N'-benzoyl-3-ethyl-4-oxophthalazine-1-carbohydrazide is CCn1nc(C(=O)NNC(=O)c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of N'-benzoyl-3-ethyl-4-oxophthalazine-1-carbohydrazide?
The InChIKey is VNYRDNIEPYCDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-2-22-18(25)14-11-7-6-10-13(14)15(21-22)17(24)20-19-16(23)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N'-benzoyl-3-ethyl-4-oxophthalazine-1-carbohydrazide?
N'-benzoyl-3-ethyl-4-oxophthalazine-1-carbohydrazide has a molecular weight of 336.35 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-3-ethyl-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 2674869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).