3-methyl-N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-oxophthalazine-1-carbohydrazide

C23H20N4O4 — CID 7927312

IUPAC3-methyl-N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-oxophthalazine-1-carbohydrazide
SMILESC[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C23H20N4O4/c1-14(31-17-12-11-15-7-3-4-8-16(15)13-17)21(28)24-25-22(29)20-18-9-5-6-10-19(18)23(30)27(2)26-20/h3-14H,1-2H3,(H,24,28)(H,25,29)/t14-/m0/s1
InChIKeyPMSOJRAWLLOLMA-AWEZNQCLSA-N
MW416.44 g/mol
LogP2.32
Rot. Bonds4

About 3-methyl-N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-oxophthalazine-1-carbohydrazide

3-methyl-N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-oxophthalazine-1-carbohydrazide (PubChem CID 7927312) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 3-methyl-N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound Name3-methyl-N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-oxophthalazine-1-carbohydrazide
PubChem CID7927312
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name3-methyl-N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-oxophthalazine-1-carbohydrazide
SMILESC[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C23H20N4O4/c1-14(31-17-12-11-15-7-3-4-8-16(15)13-17)21(28)24-25-22(29)20-18-9-5-6-10-19(18)23(30)27(2)26-20/h3-14H,1-2H3,(H,24,28)(H,25,29)/t14-/m0/s1
InChIKeyPMSOJRAWLLOLMA-AWEZNQCLSA-N
XLogP2.32
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-4-oxophthalazine-1-carbohydrazide
CID 4805664
N-[(2R)-3-methyl-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxobutan-2-yl]acetamide
CID 51552973
3-ethyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-oxophthalazine-1-carbohydrazide
CID 7965300
naphthalen-2-yl 3-methyl-4-oxophthalazine-1-carboxylate
CID 2634017
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 8945814
(2R)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757605
(2S)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757604
N'-(1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 2674870
3-methyl-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-oxophthalazine-1-carbohydrazide
CID 24616172
3-ethyl-N'-(2-naphthalen-2-yloxyacetyl)-4-oxophthalazine-1-carbohydrazide
CID 7979968
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9477309
N'-[2-(1,3-benzothiazol-2-ylamino)propanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 24684809

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of 3-methyl-N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-oxophthalazine-1-carbohydrazide (CID 7927312) is 3-methyl-N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for 3-methyl-N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for 3-methyl-N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-oxophthalazine-1-carbohydrazide is C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12.
What is the InChIKey of 3-methyl-N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-oxophthalazine-1-carbohydrazide?
The InChIKey is PMSOJRAWLLOLMA-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-14(31-17-12-11-15-7-3-4-8-16(15)13-17)21(28)24-25-22(29)20-18-9-5-6-10-19(18)23(30)27(2)26-20/h3-14H,1-2H3,(H,24,28)(H,25,29)/t14-/m0/s1.
What are the key properties of 3-methyl-N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-oxophthalazine-1-carbohydrazide?
3-methyl-N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-oxophthalazine-1-carbohydrazide has a molecular weight of 416.44 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 7927312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).