N'-benzyl-2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-phenylacetohydrazide

C24H21N3O3 — CID 9206637

IUPACN'-benzyl-2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-phenylacetohydrazide
SMILESO=C(CN1C(=O)Cc2ccccc2C1=O)NN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H21N3O3/c28-22(17-26-23(29)15-19-11-7-8-14-21(19)24(26)30)25-27(20-12-5-2-6-13-20)16-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,25,28)
InChIKeyFMVJNJYCRAMUAO-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.95
Rot. Bonds6

About N'-benzyl-2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-phenylacetohydrazide

N'-benzyl-2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-phenylacetohydrazide (PubChem CID 9206637) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N'-benzyl-2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-phenylacetohydrazide.

Molecular Properties

Compound NameN'-benzyl-2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-phenylacetohydrazide
PubChem CID9206637
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN'-benzyl-2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-phenylacetohydrazide
SMILESO=C(CN1C(=O)Cc2ccccc2C1=O)NN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H21N3O3/c28-22(17-26-23(29)15-19-11-7-8-14-21(19)24(26)30)25-27(20-12-5-2-6-13-20)16-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,25,28)
InChIKeyFMVJNJYCRAMUAO-UHFFFAOYSA-N
XLogP2.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-methyl-N'-phenylacetohydrazide
CID 9480265
N-[[4-(dimethylamino)phenyl]methyl]-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetamide
CID 9305460
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032875
2-(2-oxopropyl)-4H-isoquinoline-1,3-dione
CID 62024142
N'-benzyl-2-(2-oxopiperidin-1-yl)-N'-phenylacetohydrazide
CID 78865761
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 9143586
2-(2-phenylethyl)-4H-isoquinoline-1,3-dione
CID 713096
[(2S)-2-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)acetyl]amino]-2-phenylethyl]-dimethylazanium
CID 8938188
N'-[2-(2-chlorophenoxy)acetyl]-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetohydrazide
CID 9321445
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
CID 9365776
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetohydrazide
CID 9322183
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4H-isoquinoline-1,3-dione
CID 9032718

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-phenylacetohydrazide?
The IUPAC name of N'-benzyl-2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-phenylacetohydrazide (CID 9206637) is N'-benzyl-2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-phenylacetohydrazide.
What is the SMILES notation for N'-benzyl-2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-phenylacetohydrazide?
The canonical SMILES for N'-benzyl-2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-phenylacetohydrazide is O=C(CN1C(=O)Cc2ccccc2C1=O)NN(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzyl-2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-phenylacetohydrazide?
The InChIKey is FMVJNJYCRAMUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-22(17-26-23(29)15-19-11-7-8-14-21(19)24(26)30)25-27(20-12-5-2-6-13-20)16-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,25,28).
What are the key properties of N'-benzyl-2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-phenylacetohydrazide?
N'-benzyl-2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-phenylacetohydrazide has a molecular weight of 399.45 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-phenylacetohydrazide is sourced from PubChem (CID 9206637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).