4-hydroxy-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]-1-phenylpyrazole-3-carbohydrazide

C22H20N6O4 — CID 46698413

IUPAC4-hydroxy-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]-1-phenylpyrazole-3-carbohydrazide
SMILESCc1cccc2c(=O)n(CCC(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)cnc12
InChIInChI=1S/C22H20N6O4/c1-14-6-5-9-16-19(14)23-13-27(22(16)32)11-10-18(30)24-25-21(31)20-17(29)12-28(26-20)15-7-3-2-4-8-15/h2-9,12-13,29H,10-11H2,1H3,(H,24,30)(H,25,31)
InChIKeyWFUJEBWFWSQNCG-UHFFFAOYSA-N
MW432.44 g/mol
LogP1.45
Rot. Bonds5

About 4-hydroxy-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]-1-phenylpyrazole-3-carbohydrazide

4-hydroxy-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]-1-phenylpyrazole-3-carbohydrazide (PubChem CID 46698413) has the molecular formula C22H20N6O4 and a molecular weight of 432.44 g/mol. Its IUPAC name is 4-hydroxy-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]-1-phenylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-hydroxy-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]-1-phenylpyrazole-3-carbohydrazide
PubChem CID46698413
Molecular FormulaC22H20N6O4
Molecular Weight432.44 g/mol
Exact Mass432.15
IUPAC Name4-hydroxy-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]-1-phenylpyrazole-3-carbohydrazide
SMILESCc1cccc2c(=O)n(CCC(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)cnc12
InChIInChI=1S/C22H20N6O4/c1-14-6-5-9-16-19(14)23-13-27(22(16)32)11-10-18(30)24-25-21(31)20-17(29)12-28(26-20)15-7-3-2-4-8-15/h2-9,12-13,29H,10-11H2,1H3,(H,24,30)(H,25,31)
InChIKeyWFUJEBWFWSQNCG-UHFFFAOYSA-N
XLogP1.45
TPSA131.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 25326839
4-chloro-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 27147734
4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide
CID 17478623
5-ethyl-4-methyl-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]thiophene-2-carbohydrazide
CID 35410513
3-(8-methyl-4-oxoquinazolin-3-yl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
CID 35376766
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide
CID 24682780
4-hydroxy-N'-(4-phenoxybutanoyl)-1-phenylpyrazole-3-carbohydrazide
CID 46657547
3-(2-aminoethyl)-8-methylquinazolin-4-one
CID 82506522
4-hydroxy-N'-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoyl]-1-phenylpyrazole-3-carbohydrazide
CID 46657520
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27022306
N-benzyl-N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147978
(2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486113

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]-1-phenylpyrazole-3-carbohydrazide?
The IUPAC name of 4-hydroxy-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]-1-phenylpyrazole-3-carbohydrazide (CID 46698413) is 4-hydroxy-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]-1-phenylpyrazole-3-carbohydrazide.
What is the SMILES notation for 4-hydroxy-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]-1-phenylpyrazole-3-carbohydrazide?
The canonical SMILES for 4-hydroxy-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]-1-phenylpyrazole-3-carbohydrazide is Cc1cccc2c(=O)n(CCC(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)cnc12.
What is the InChIKey of 4-hydroxy-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]-1-phenylpyrazole-3-carbohydrazide?
The InChIKey is WFUJEBWFWSQNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O4/c1-14-6-5-9-16-19(14)23-13-27(22(16)32)11-10-18(30)24-25-21(31)20-17(29)12-28(26-20)15-7-3-2-4-8-15/h2-9,12-13,29H,10-11H2,1H3,(H,24,30)(H,25,31).
What are the key properties of 4-hydroxy-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]-1-phenylpyrazole-3-carbohydrazide?
4-hydroxy-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]-1-phenylpyrazole-3-carbohydrazide has a molecular weight of 432.44 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]-1-phenylpyrazole-3-carbohydrazide is sourced from PubChem (CID 46698413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).