About N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide
N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide (PubChem CID 122643337) has the molecular formula C28H24N8O3S
and a molecular weight of 552.62 g/mol. Its IUPAC name is N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide.
Molecular Properties
| Compound Name | N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide |
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| PubChem CID | 122643337 |
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| Molecular Formula | C28H24N8O3S |
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| Molecular Weight | 552.62 g/mol |
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| Exact Mass | 552.17 |
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| IUPAC Name | N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide |
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| SMILES | N/N=N/C(=O)CS(=O)(=O)Cc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1 |
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| InChI | InChI=1S/C28H24N8O3S/c29-36-35-25(37)18-40(38,39)17-19-13-21(15-30-14-19)27-33-24-11-6-10-23(20-7-2-1-3-8-20)26(24)28(34-27)32-16-22-9-4-5-12-31-22/h1-15H,16-18H2,(H2,29,35,37)(H,32,33,34) |
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| InChIKey | BWKWXHUUCUQEIL-UHFFFAOYSA-N |
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| XLogP | 4.13 |
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| TPSA | 165.54 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 552.62 |
| LogP ≤ 5 | 4.13 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide?
The IUPAC name of N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide (CID 122643337) is N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide.
What is the SMILES notation for N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide?
The canonical SMILES for N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide is N/N=N/C(=O)CS(=O)(=O)Cc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1.
What is the InChIKey of N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide?
The InChIKey is BWKWXHUUCUQEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8O3S/c29-36-35-25(37)18-40(38,39)17-19-13-21(15-30-14-19)27-33-24-11-6-10-23(20-7-2-1-3-8-20)26(24)28(34-27)32-16-22-9-4-5-12-31-22/h1-15H,16-18H2,(H2,29,35,37)(H,32,33,34).
What are the key properties of N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide?
N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide has a molecular weight of 552.62 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydrazinylidene-2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methylsulfonyl]acetamide is sourced from PubChem (CID 122643337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).