3-benzyl-N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-oxophthalazine-1-carbohydrazide

C26H22N4O3 — CID 34057571

IUPAC3-benzyl-N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-oxophthalazine-1-carbohydrazide
SMILESO=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc2c(c1)CCC2
InChIInChI=1S/C26H22N4O3/c31-24(20-14-13-18-9-6-10-19(18)15-20)27-28-25(32)23-21-11-4-5-12-22(21)26(33)30(29-23)16-17-7-2-1-3-8-17/h1-5,7-8,11-15H,6,9-10,16H2,(H,27,31)(H,28,32)
InChIKeyPRQWMMZASVGUQZ-UHFFFAOYSA-N
MW438.49 g/mol
LogP3.01
Rot. Bonds4

About 3-benzyl-N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-oxophthalazine-1-carbohydrazide

3-benzyl-N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-oxophthalazine-1-carbohydrazide (PubChem CID 34057571) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is 3-benzyl-N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound Name3-benzyl-N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-oxophthalazine-1-carbohydrazide
PubChem CID34057571
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC Name3-benzyl-N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-oxophthalazine-1-carbohydrazide
SMILESO=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc2c(c1)CCC2
InChIInChI=1S/C26H22N4O3/c31-24(20-14-13-18-9-6-10-19(18)15-20)27-28-25(32)23-21-11-4-5-12-22(21)26(33)30(29-23)16-17-7-2-1-3-8-17/h1-5,7-8,11-15H,6,9-10,16H2,(H,27,31)(H,28,32)
InChIKeyPRQWMMZASVGUQZ-UHFFFAOYSA-N
XLogP3.01
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-4-oxo-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]phthalazine-1-carbohydrazide
CID 35767282
N'-(3-benzyl-4-oxophthalazine-1-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide
CID 34057526
3-benzyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide
CID 2472792
3-benzyl-N-(cycloheptylideneamino)-4-oxophthalazine-1-carboxamide
CID 4002441
3-benzyl-N-(cyclopentylmethyl)-4-oxophthalazine-1-carboxamide
CID 39211839
3-benzyl-N-cyclohexyl-4-oxophthalazine-1-carboxamide
CID 4811377
3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide
CID 4797057
3-ethyl-N'-(3-methoxy-4-phenylmethoxybenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 27563734
3-ethyl-N'-[3-(methoxymethyl)benzoyl]-4-oxophthalazine-1-carbohydrazide
CID 9369810
N-[1-[2-(3-benzyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxopropan-2-yl]acetamide
CID 24636769
3-benzyl-N'-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 42907780
3-benzyl-4-oxo-N'-(2-oxochromene-3-carbonyl)phthalazine-1-carbohydrazide
CID 4995460

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of 3-benzyl-N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-oxophthalazine-1-carbohydrazide (CID 34057571) is 3-benzyl-N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for 3-benzyl-N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for 3-benzyl-N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-oxophthalazine-1-carbohydrazide is O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-benzyl-N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-oxophthalazine-1-carbohydrazide?
The InChIKey is PRQWMMZASVGUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3/c31-24(20-14-13-18-9-6-10-19(18)15-20)27-28-25(32)23-21-11-4-5-12-22(21)26(33)30(29-23)16-17-7-2-1-3-8-17/h1-5,7-8,11-15H,6,9-10,16H2,(H,27,31)(H,28,32).
What are the key properties of 3-benzyl-N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-oxophthalazine-1-carbohydrazide?
3-benzyl-N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-oxophthalazine-1-carbohydrazide has a molecular weight of 438.49 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 34057571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).