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

C19H18N4O5 — CID 4851120

IUPAC2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)Cn1[nH]c(=O)c2ccccc2c1=O
InChIInChI=1S/C19H18N4O5/c1-12-6-2-5-9-15(12)28-11-17(25)21-20-16(24)10-23-19(27)14-8-4-3-7-13(14)18(26)22-23/h2-9H,10-11H2,1H3,(H,20,24)(H,21,25)(H,22,26)
InChIKeyQBIZDIJOPFAAGN-UHFFFAOYSA-N
MW382.38 g/mol
LogP0.22
Rot. Bonds5

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

2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide (PubChem CID 4851120) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide
PubChem CID4851120
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Name2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)Cn1[nH]c(=O)c2ccccc2c1=O
InChIInChI=1S/C19H18N4O5/c1-12-6-2-5-9-15(12)28-11-17(25)21-20-16(24)10-23-19(27)14-8-4-3-7-13(14)18(26)22-23/h2-9H,10-11H2,1H3,(H,20,24)(H,21,25)(H,22,26)
InChIKeyQBIZDIJOPFAAGN-UHFFFAOYSA-N
XLogP0.22
TPSA122.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 50.22
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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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide (CID 4851120) is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide is Cc1ccccc1OCC(=O)NNC(=O)Cn1[nH]c(=O)c2ccccc2c1=O.
What is the InChIKey of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide?
The InChIKey is QBIZDIJOPFAAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c1-12-6-2-5-9-15(12)28-11-17(25)21-20-16(24)10-23-19(27)14-8-4-3-7-13(14)18(26)22-23/h2-9H,10-11H2,1H3,(H,20,24)(H,21,25)(H,22,26).
What are the key properties of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide?
2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide has a molecular weight of 382.38 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 4851120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).