N'-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)benzo[f]quinoline-5-carbohydrazide

C26H21N5O3 — CID 55786854

IUPACN'-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)benzo[f]quinoline-5-carbohydrazide
SMILESCC(C)n1nc(C(=O)NNC(=O)c2cc3ccccc3c3cccnc23)c2ccccc2c1=O
InChIInChI=1S/C26H21N5O3/c1-15(2)31-26(34)20-11-6-5-10-19(20)23(30-31)25(33)29-28-24(32)21-14-16-8-3-4-9-17(16)18-12-7-13-27-22(18)21/h3-15H,1-2H3,(H,28,32)(H,29,33)
InChIKeyWKYXEAKWVZDZTN-UHFFFAOYSA-N
MW451.49 g/mol
LogP3.75
Rot. Bonds3

About N'-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)benzo[f]quinoline-5-carbohydrazide

N'-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)benzo[f]quinoline-5-carbohydrazide (PubChem CID 55786854) has the molecular formula C26H21N5O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is N'-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)benzo[f]quinoline-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)benzo[f]quinoline-5-carbohydrazide
PubChem CID55786854
Molecular FormulaC26H21N5O3
Molecular Weight451.49 g/mol
Exact Mass451.16
IUPAC NameN'-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)benzo[f]quinoline-5-carbohydrazide
SMILESCC(C)n1nc(C(=O)NNC(=O)c2cc3ccccc3c3cccnc23)c2ccccc2c1=O
InChIInChI=1S/C26H21N5O3/c1-15(2)31-26(34)20-11-6-5-10-19(20)23(30-31)25(33)29-28-24(32)21-14-16-8-3-4-9-17(16)18-12-7-13-27-22(18)21/h3-15H,1-2H3,(H,28,32)(H,29,33)
InChIKeyWKYXEAKWVZDZTN-UHFFFAOYSA-N
XLogP3.75
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N'-(2,3-dimethylbenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 55341302
N'-(4,5-dichloro-6-methylpyridine-3-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 71914401
N'-(5-chloro-2-methoxybenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 26874893
4-oxo-3-propan-2-yl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide
CID 46651958
N-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide
CID 110893927
N'-[4-(methylsulfanylmethyl)benzoyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 35767608
N'-(3-bromo-1H-indole-2-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 55915072
4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide
CID 2598592
N'-[2-(2-methylphenyl)acetyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 27566475
N-(4-methyl-2-pyridinyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 78794453
N-[3-methyl-1-oxo-1-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]butan-2-yl]acetamide
CID 42888349
N-[3-oxo-3-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]propyl]naphthalene-2-carboxamide
CID 55581098

Frequently Asked Questions

What is the IUPAC name of N'-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)benzo[f]quinoline-5-carbohydrazide?
The IUPAC name of N'-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)benzo[f]quinoline-5-carbohydrazide (CID 55786854) is N'-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)benzo[f]quinoline-5-carbohydrazide.
What is the SMILES notation for N'-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)benzo[f]quinoline-5-carbohydrazide?
The canonical SMILES for N'-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)benzo[f]quinoline-5-carbohydrazide is CC(C)n1nc(C(=O)NNC(=O)c2cc3ccccc3c3cccnc23)c2ccccc2c1=O.
What is the InChIKey of N'-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)benzo[f]quinoline-5-carbohydrazide?
The InChIKey is WKYXEAKWVZDZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3/c1-15(2)31-26(34)20-11-6-5-10-19(20)23(30-31)25(33)29-28-24(32)21-14-16-8-3-4-9-17(16)18-12-7-13-27-22(18)21/h3-15H,1-2H3,(H,28,32)(H,29,33).
What are the key properties of N'-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)benzo[f]quinoline-5-carbohydrazide?
N'-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)benzo[f]quinoline-5-carbohydrazide has a molecular weight of 451.49 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)benzo[f]quinoline-5-carbohydrazide is sourced from PubChem (CID 55786854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).