N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]-1-methylindole-3-carbohydrazide

C20H17N5O4 — CID 40716285

IUPACN'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]-1-methylindole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c2ccccc21
InChIInChI=1S/C20H17N5O4/c1-24-10-15(12-6-4-5-9-16(12)24)18(27)22-21-17(26)11-25-20(29)14-8-3-2-7-13(14)19(28)23-25/h2-10H,11H2,1H3,(H,21,26)(H,22,27)(H,23,28)
InChIKeyZGWOGYIQQMSVAY-UHFFFAOYSA-N
MW391.39 g/mol
LogP0.64
Rot. Bonds3

About N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]-1-methylindole-3-carbohydrazide

N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]-1-methylindole-3-carbohydrazide (PubChem CID 40716285) has the molecular formula C20H17N5O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]-1-methylindole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]-1-methylindole-3-carbohydrazide
PubChem CID40716285
Molecular FormulaC20H17N5O4
Molecular Weight391.39 g/mol
Exact Mass391.13
IUPAC NameN'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]-1-methylindole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c2ccccc21
InChIInChI=1S/C20H17N5O4/c1-24-10-15(12-6-4-5-9-16(12)24)18(27)22-21-17(26)11-25-20(29)14-8-3-2-7-13(14)19(28)23-25/h2-10H,11H2,1H3,(H,21,26)(H,22,27)(H,23,28)
InChIKeyZGWOGYIQQMSVAY-UHFFFAOYSA-N
XLogP0.64
TPSA117.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]indole-3-carbohydrazide
CID 24607822
1-methyl-N'-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]indole-3-carbohydrazide
CID 40717499
N'-hexanoyl-1-methylindole-3-carbohydrazide
CID 46549476
4-bromo-N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]-1H-pyrrole-2-carbohydrazide
CID 9256039
2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide
CID 30475095
N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1-methylindole-3-carbohydrazide
CID 40717487
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 41312473
1-methyl-N'-[2-(4-phenoxyphenoxy)acetyl]indole-3-carbohydrazide
CID 25468814
N'-(1-methylindole-3-carbonyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide
CID 55408908
N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide
CID 9206903
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
N-(3,5-dimethylphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 2083338

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]-1-methylindole-3-carbohydrazide?
The IUPAC name of N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]-1-methylindole-3-carbohydrazide (CID 40716285) is N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]-1-methylindole-3-carbohydrazide.
What is the SMILES notation for N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]-1-methylindole-3-carbohydrazide?
The canonical SMILES for N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]-1-methylindole-3-carbohydrazide is Cn1cc(C(=O)NNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c2ccccc21.
What is the InChIKey of N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]-1-methylindole-3-carbohydrazide?
The InChIKey is ZGWOGYIQQMSVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4/c1-24-10-15(12-6-4-5-9-16(12)24)18(27)22-21-17(26)11-25-20(29)14-8-3-2-7-13(14)19(28)23-25/h2-10H,11H2,1H3,(H,21,26)(H,22,27)(H,23,28).
What are the key properties of N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]-1-methylindole-3-carbohydrazide?
N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]-1-methylindole-3-carbohydrazide has a molecular weight of 391.39 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]-1-methylindole-3-carbohydrazide is sourced from PubChem (CID 40716285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).