N'-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide

C26H19FN6O3 — CID 46582418

IUPACN'-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
SMILESO=C(Cn1cnc2ccc(F)cc2c1=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C26H19FN6O3/c27-18-11-12-22-20(13-18)26(36)32(16-28-22)15-23(34)29-30-25(35)21-14-33(19-9-5-2-6-10-19)31-24(21)17-7-3-1-4-8-17/h1-14,16H,15H2,(H,29,34)(H,30,35)
InChIKeyGLHZULKNQNSICB-UHFFFAOYSA-N
MW482.48 g/mol
LogP2.85
Rot. Bonds5

About N'-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide

N'-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide (PubChem CID 46582418) has the molecular formula C26H19FN6O3 and a molecular weight of 482.48 g/mol. Its IUPAC name is N'-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
PubChem CID46582418
Molecular FormulaC26H19FN6O3
Molecular Weight482.48 g/mol
Exact Mass482.15
IUPAC NameN'-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
SMILESO=C(Cn1cnc2ccc(F)cc2c1=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C26H19FN6O3/c27-18-11-12-22-20(13-18)26(36)32(16-28-22)15-23(34)29-30-25(35)21-14-33(19-9-5-2-6-10-19)31-24(21)17-7-3-1-4-8-17/h1-14,16H,15H2,(H,29,34)(H,30,35)
InChIKeyGLHZULKNQNSICB-UHFFFAOYSA-N
XLogP2.85
TPSA110.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 24551862
N'-[2-(2-fluorophenoxy)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2100382
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 55575215
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide
CID 47023949
2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide
CID 4827693
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide
CID 46585768
N-cyclopropyl-2-[2-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]hydrazinyl]-2-oxoacetamide
CID 46463478
N'-[2-(4-oxoquinazolin-3-yl)acetyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 24540532
N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide
CID 36708528
N'-[2-(2-methoxyphenyl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 35000948
N'-(1,3-diphenylpyrazole-4-carbonyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide
CID 55381258
3-chloro-N-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 34299352

Frequently Asked Questions

What is the IUPAC name of N'-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide?
The IUPAC name of N'-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide (CID 46582418) is N'-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide is O=C(Cn1cnc2ccc(F)cc2c1=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N'-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide?
The InChIKey is GLHZULKNQNSICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN6O3/c27-18-11-12-22-20(13-18)26(36)32(16-28-22)15-23(34)29-30-25(35)21-14-33(19-9-5-2-6-10-19)31-24(21)17-7-3-1-4-8-17/h1-14,16H,15H2,(H,29,34)(H,30,35).
What are the key properties of N'-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide?
N'-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide has a molecular weight of 482.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 46582418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).