About 1-(6-bromoquinazolin-4-yl)-2-(6-iodoquinazolin-4-yl)-1,2-bis(4-morpholin-4-ylphenyl)hydrazine
1-(6-bromoquinazolin-4-yl)-2-(6-iodoquinazolin-4-yl)-1,2-bis(4-morpholin-4-ylphenyl)hydrazine (PubChem CID 91098373) has the molecular formula C36H32BrIN8O2
and a molecular weight of 815.51 g/mol. Its IUPAC name is 1-(6-bromoquinazolin-4-yl)-2-(6-iodoquinazolin-4-yl)-1,2-bis(4-morpholin-4-ylphenyl)hydrazine.
Molecular Properties
| Compound Name | 1-(6-bromoquinazolin-4-yl)-2-(6-iodoquinazolin-4-yl)-1,2-bis(4-morpholin-4-ylphenyl)hydrazine |
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| PubChem CID | 91098373 |
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| Molecular Formula | C36H32BrIN8O2 |
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| Molecular Weight | 815.51 g/mol |
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| Exact Mass | 814.09 |
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| IUPAC Name | 1-(6-bromoquinazolin-4-yl)-2-(6-iodoquinazolin-4-yl)-1,2-bis(4-morpholin-4-ylphenyl)hydrazine |
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| SMILES | Brc1ccc2ncnc(N(c3ccc(N4CCOCC4)cc3)N(c3ccc(N4CCOCC4)cc3)c3ncnc4ccc(I)cc34)c2c1 |
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| InChI | InChI=1S/C36H32BrIN8O2/c37-25-1-11-33-31(21-25)35(41-23-39-33)45(29-7-3-27(4-8-29)43-13-17-47-18-14-43)46(36-32-22-26(38)2-12-34(32)40-24-42-36)30-9-5-28(6-10-30)44-15-19-48-20-16-44/h1-12,21-24H,13-20H2 |
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| InChIKey | AHHFQRCJQZGCBV-UHFFFAOYSA-N |
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| XLogP | 7.50 |
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| TPSA | 82.98 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 48 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 815.51 |
| LogP ≤ 5 | 7.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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 1-(6-bromoquinazolin-4-yl)-2-(6-iodoquinazolin-4-yl)-1,2-bis(4-morpholin-4-ylphenyl)hydrazine?
The IUPAC name of 1-(6-bromoquinazolin-4-yl)-2-(6-iodoquinazolin-4-yl)-1,2-bis(4-morpholin-4-ylphenyl)hydrazine (CID 91098373) is 1-(6-bromoquinazolin-4-yl)-2-(6-iodoquinazolin-4-yl)-1,2-bis(4-morpholin-4-ylphenyl)hydrazine.
What is the SMILES notation for 1-(6-bromoquinazolin-4-yl)-2-(6-iodoquinazolin-4-yl)-1,2-bis(4-morpholin-4-ylphenyl)hydrazine?
The canonical SMILES for 1-(6-bromoquinazolin-4-yl)-2-(6-iodoquinazolin-4-yl)-1,2-bis(4-morpholin-4-ylphenyl)hydrazine is Brc1ccc2ncnc(N(c3ccc(N4CCOCC4)cc3)N(c3ccc(N4CCOCC4)cc3)c3ncnc4ccc(I)cc34)c2c1.
What is the InChIKey of 1-(6-bromoquinazolin-4-yl)-2-(6-iodoquinazolin-4-yl)-1,2-bis(4-morpholin-4-ylphenyl)hydrazine?
The InChIKey is AHHFQRCJQZGCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32BrIN8O2/c37-25-1-11-33-31(21-25)35(41-23-39-33)45(29-7-3-27(4-8-29)43-13-17-47-18-14-43)46(36-32-22-26(38)2-12-34(32)40-24-42-36)30-9-5-28(6-10-30)44-15-19-48-20-16-44/h1-12,21-24H,13-20H2.
What are the key properties of 1-(6-bromoquinazolin-4-yl)-2-(6-iodoquinazolin-4-yl)-1,2-bis(4-morpholin-4-ylphenyl)hydrazine?
1-(6-bromoquinazolin-4-yl)-2-(6-iodoquinazolin-4-yl)-1,2-bis(4-morpholin-4-ylphenyl)hydrazine has a molecular weight of 815.51 g/mol, XLogP of 7.50, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromoquinazolin-4-yl)-2-(6-iodoquinazolin-4-yl)-1,2-bis(4-morpholin-4-ylphenyl)hydrazine is sourced from PubChem (CID 91098373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).