About 2-[[8-hydroxy-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-2-yl]-methylamino]-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol
2-[[8-hydroxy-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-2-yl]-methylamino]-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol (PubChem CID 2831984) has the molecular formula C35H31N7O4
and a molecular weight of 613.68 g/mol. Its IUPAC name is 2-[[8-hydroxy-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-2-yl]-methylamino]-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol.
Molecular Properties
| Compound Name | 2-[[8-hydroxy-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-2-yl]-methylamino]-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol |
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| PubChem CID | 2831984 |
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| Molecular Formula | C35H31N7O4 |
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| Molecular Weight | 613.68 g/mol |
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| Exact Mass | 613.24 |
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| IUPAC Name | 2-[[8-hydroxy-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-2-yl]-methylamino]-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol |
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| SMILES | COc1ccc(C)cc1/N=N/c1ccc(O)c2nc(N(C)c3ccc4c(/N=N/c5cc(C)ccc5OC)ccc(O)c4n3)ccc12 |
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| InChI | InChI=1S/C35H31N7O4/c1-20-6-14-30(45-4)26(18-20)40-38-24-10-12-28(43)34-22(24)8-16-32(36-34)42(3)33-17-9-23-25(11-13-29(44)35(23)37-33)39-41-27-19-21(2)7-15-31(27)46-5/h6-19,43-44H,1-5H3/b40-38+,41-39+ |
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| InChIKey | BUHIXNFJAKVIGD-QYGUTFKISA-N |
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| XLogP | 9.43 |
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| TPSA | 137.38 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 46 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 613.68 |
| LogP ≤ 5 | 9.43 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 11 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[[8-hydroxy-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-2-yl]-methylamino]-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol?
The IUPAC name of 2-[[8-hydroxy-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-2-yl]-methylamino]-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol (CID 2831984) is 2-[[8-hydroxy-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-2-yl]-methylamino]-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol.
What is the SMILES notation for 2-[[8-hydroxy-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-2-yl]-methylamino]-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol?
The canonical SMILES for 2-[[8-hydroxy-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-2-yl]-methylamino]-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol is COc1ccc(C)cc1/N=N/c1ccc(O)c2nc(N(C)c3ccc4c(/N=N/c5cc(C)ccc5OC)ccc(O)c4n3)ccc12.
What is the InChIKey of 2-[[8-hydroxy-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-2-yl]-methylamino]-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol?
The InChIKey is BUHIXNFJAKVIGD-QYGUTFKISA-N. The full InChI is InChI=1S/C35H31N7O4/c1-20-6-14-30(45-4)26(18-20)40-38-24-10-12-28(43)34-22(24)8-16-32(36-34)42(3)33-17-9-23-25(11-13-29(44)35(23)37-33)39-41-27-19-21(2)7-15-31(27)46-5/h6-19,43-44H,1-5H3/b40-38+,41-39+.
What are the key properties of 2-[[8-hydroxy-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-2-yl]-methylamino]-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol?
2-[[8-hydroxy-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-2-yl]-methylamino]-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol has a molecular weight of 613.68 g/mol, XLogP of 9.43, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-hydroxy-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-2-yl]-methylamino]-5-[(2-methoxy-5-methylphenyl)diazenyl]quinolin-8-ol is sourced from PubChem (CID 2831984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).