N'-[2-(4-oxoquinazolin-3-yl)acetyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide

C25H19N7O3 — CID 24540532

IUPACN'-[2-(4-oxoquinazolin-3-yl)acetyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
SMILESO=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C25H19N7O3/c33-21(15-31-16-26-20-14-8-7-13-19(20)25(31)35)28-29-24(34)22-27-23(17-9-3-1-4-10-17)32(30-22)18-11-5-2-6-12-18/h1-14,16H,15H2,(H,28,33)(H,29,34)
InChIKeyLLSDGAVPYMQBNT-UHFFFAOYSA-N
MW465.47 g/mol
LogP2.11
Rot. Bonds5

About N'-[2-(4-oxoquinazolin-3-yl)acetyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide

N'-[2-(4-oxoquinazolin-3-yl)acetyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide (PubChem CID 24540532) has the molecular formula C25H19N7O3 and a molecular weight of 465.47 g/mol. Its IUPAC name is N'-[2-(4-oxoquinazolin-3-yl)acetyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-oxoquinazolin-3-yl)acetyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
PubChem CID24540532
Molecular FormulaC25H19N7O3
Molecular Weight465.47 g/mol
Exact Mass465.15
IUPAC NameN'-[2-(4-oxoquinazolin-3-yl)acetyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
SMILESO=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C25H19N7O3/c33-21(15-31-16-26-20-14-8-7-13-19(20)25(31)35)28-29-24(34)22-27-23(17-9-3-1-4-10-17)32(30-22)18-11-5-2-6-12-18/h1-14,16H,15H2,(H,28,33)(H,29,34)
InChIKeyLLSDGAVPYMQBNT-UHFFFAOYSA-N
XLogP2.11
TPSA123.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide
CID 4827693
2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
CID 24542922
N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide
CID 26799065
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide
CID 7969443
2-(4-oxoquinazolin-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
CID 70744033
N-(4,6-dimethylpyrimidin-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 155294773
N-[2-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 24540560
3-(dimethylamino)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide
CID 27605752
4-methyl-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 34391804
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
N'-[2-(4-fluorophenoxy)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide
CID 7910774
N'-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 46582418

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-oxoquinazolin-3-yl)acetyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide?
The IUPAC name of N'-[2-(4-oxoquinazolin-3-yl)acetyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide (CID 24540532) is N'-[2-(4-oxoquinazolin-3-yl)acetyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-oxoquinazolin-3-yl)acetyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-oxoquinazolin-3-yl)acetyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide is O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N'-[2-(4-oxoquinazolin-3-yl)acetyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide?
The InChIKey is LLSDGAVPYMQBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N7O3/c33-21(15-31-16-26-20-14-8-7-13-19(20)25(31)35)28-29-24(34)22-27-23(17-9-3-1-4-10-17)32(30-22)18-11-5-2-6-12-18/h1-14,16H,15H2,(H,28,33)(H,29,34).
What are the key properties of N'-[2-(4-oxoquinazolin-3-yl)acetyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide?
N'-[2-(4-oxoquinazolin-3-yl)acetyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide has a molecular weight of 465.47 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-oxoquinazolin-3-yl)acetyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide is sourced from PubChem (CID 24540532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).