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

C18H17N3O3 — CID 9480265

IUPAC2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-methyl-N'-phenylacetohydrazide
SMILESCN(NC(=O)CN1C(=O)Cc2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C18H17N3O3/c1-20(14-8-3-2-4-9-14)19-16(22)12-21-17(23)11-13-7-5-6-10-15(13)18(21)24/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyHYPGTWPMWTXUEB-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.38
Rot. Bonds4

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

2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-methyl-N'-phenylacetohydrazide (PubChem CID 9480265) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-methyl-N'-phenylacetohydrazide.

Molecular Properties

Compound Name2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-methyl-N'-phenylacetohydrazide
PubChem CID9480265
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-methyl-N'-phenylacetohydrazide
SMILESCN(NC(=O)CN1C(=O)Cc2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C18H17N3O3/c1-20(14-8-3-2-4-9-14)19-16(22)12-21-17(23)11-13-7-5-6-10-15(13)18(21)24/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyHYPGTWPMWTXUEB-UHFFFAOYSA-N
XLogP1.38
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.38
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

N'-benzyl-2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-phenylacetohydrazide
CID 9206637
N-[[4-(dimethylamino)phenyl]methyl]-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetamide
CID 9305460
2-(2-oxopropyl)-4H-isoquinoline-1,3-dione
CID 62024142
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032875
[(2S)-2-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)acetyl]amino]-2-phenylethyl]-dimethylazanium
CID 8938188
2-(3-oxobutyl)-4H-isoquinoline-1,3-dione
CID 55211630
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetohydrazide
CID 9322183
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 9425239
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 9143586
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetamide
CID 9427038
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(1-propylpiperidin-1-ium-4-yl)acetamide
CID 9293148
N'-[2-(2-chlorophenoxy)acetyl]-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetohydrazide
CID 9321445

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-methyl-N'-phenylacetohydrazide?
The IUPAC name of 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-methyl-N'-phenylacetohydrazide (CID 9480265) is 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-methyl-N'-phenylacetohydrazide.
What is the SMILES notation for 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-methyl-N'-phenylacetohydrazide?
The canonical SMILES for 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-methyl-N'-phenylacetohydrazide is CN(NC(=O)CN1C(=O)Cc2ccccc2C1=O)c1ccccc1.
What is the InChIKey of 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-methyl-N'-phenylacetohydrazide?
The InChIKey is HYPGTWPMWTXUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-20(14-8-3-2-4-9-14)19-16(22)12-21-17(23)11-13-7-5-6-10-15(13)18(21)24/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-methyl-N'-phenylacetohydrazide?
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-methyl-N'-phenylacetohydrazide has a molecular weight of 323.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-methyl-N'-phenylacetohydrazide is sourced from PubChem (CID 9480265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).