3-methyl-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-oxophthalazine-1-carbohydrazide

C23H18N4O3 — CID 24616172

IUPAC3-methyl-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-oxophthalazine-1-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)/C=C/c2cccc3ccccc23)c2ccccc2c1=O
InChIInChI=1S/C23H18N4O3/c1-27-23(30)19-12-5-4-11-18(19)21(26-27)22(29)25-24-20(28)14-13-16-9-6-8-15-7-2-3-10-17(15)16/h2-14H,1H3,(H,24,28)(H,25,29)/b14-13+
InChIKeyLVUIHAPBGHMNMC-BUHFOSPRSA-N
MW398.42 g/mol
LogP2.56
Rot. Bonds3

About 3-methyl-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-oxophthalazine-1-carbohydrazide

3-methyl-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-oxophthalazine-1-carbohydrazide (PubChem CID 24616172) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 3-methyl-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound Name3-methyl-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-oxophthalazine-1-carbohydrazide
PubChem CID24616172
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name3-methyl-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-oxophthalazine-1-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)/C=C/c2cccc3ccccc23)c2ccccc2c1=O
InChIInChI=1S/C23H18N4O3/c1-27-23(30)19-12-5-4-11-18(19)21(26-27)22(29)25-24-20(28)14-13-16-9-6-8-15-7-2-3-10-17(15)16/h2-14H,1H3,(H,24,28)(H,25,29)/b14-13+
InChIKeyLVUIHAPBGHMNMC-BUHFOSPRSA-N
XLogP2.56
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide
CID 7750621
N'-(1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 2674870
3-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-4-oxophthalazine-1-carbohydrazide
CID 4805664
3-methyl-N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-oxophthalazine-1-carbohydrazide
CID 7927312
2-methoxy-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide
CID 4922573
3-methyl-4-oxo-N-prop-2-enylphthalazine-1-carboxamide
CID 2449801
3-benzyl-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]-4-oxophthalazine-1-carbohydrazide
CID 24636765
3-methyl-4-oxo-N'-(1H-pyrazole-5-carbonyl)phthalazine-1-carbohydrazide
CID 60520729
3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide
CID 42908214
3-methyl-N'-(4-methylsulfonylbenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 26873192
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 135582432
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 4503690

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of 3-methyl-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-oxophthalazine-1-carbohydrazide (CID 24616172) is 3-methyl-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for 3-methyl-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for 3-methyl-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-oxophthalazine-1-carbohydrazide is Cn1nc(C(=O)NNC(=O)/C=C/c2cccc3ccccc23)c2ccccc2c1=O.
What is the InChIKey of 3-methyl-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-oxophthalazine-1-carbohydrazide?
The InChIKey is LVUIHAPBGHMNMC-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-27-23(30)19-12-5-4-11-18(19)21(26-27)22(29)25-24-20(28)14-13-16-9-6-8-15-7-2-3-10-17(15)16/h2-14H,1H3,(H,24,28)(H,25,29)/b14-13+.
What are the key properties of 3-methyl-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-oxophthalazine-1-carbohydrazide?
3-methyl-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-oxophthalazine-1-carbohydrazide has a molecular weight of 398.42 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 24616172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).