About 7-methoxy-N-[3-[3-[(7-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide
7-methoxy-N-[3-[3-[(7-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide (PubChem CID 10817617) has the molecular formula C35H35N7O4
and a molecular weight of 617.71 g/mol. Its IUPAC name is 7-methoxy-N-[3-[3-[(7-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide.
Molecular Properties
| Compound Name | 7-methoxy-N-[3-[3-[(7-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide |
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| PubChem CID | 10817617 |
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| Molecular Formula | C35H35N7O4 |
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| Molecular Weight | 617.71 g/mol |
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| Exact Mass | 617.28 |
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| IUPAC Name | 7-methoxy-N-[3-[3-[(7-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide |
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| SMILES | COc1ccc2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6cc(OC)ccc6nc45)cccc3nc2c1 |
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| InChI | InChI=1S/C35H35N7O4/c1-42(18-6-16-36-34(43)24-8-4-10-28-32(24)40-26-14-12-22(45-2)20-30(26)38-28)19-7-17-37-35(44)25-9-5-11-29-33(25)41-27-15-13-23(46-3)21-31(27)39-29/h4-5,8-15,20-21H,6-7,16-19H2,1-3H3,(H,36,43)(H,37,44) |
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| InChIKey | RKQMNUZTCCNOKL-UHFFFAOYSA-N |
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| XLogP | 4.77 |
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| TPSA | 131.46 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 46 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 617.71 |
| LogP ≤ 5 | 4.77 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 7-methoxy-N-[3-[3-[(7-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide?
The IUPAC name of 7-methoxy-N-[3-[3-[(7-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide (CID 10817617) is 7-methoxy-N-[3-[3-[(7-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide.
What is the SMILES notation for 7-methoxy-N-[3-[3-[(7-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide?
The canonical SMILES for 7-methoxy-N-[3-[3-[(7-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide is COc1ccc2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6cc(OC)ccc6nc45)cccc3nc2c1.
What is the InChIKey of 7-methoxy-N-[3-[3-[(7-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide?
The InChIKey is RKQMNUZTCCNOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N7O4/c1-42(18-6-16-36-34(43)24-8-4-10-28-32(24)40-26-14-12-22(45-2)20-30(26)38-28)19-7-17-37-35(44)25-9-5-11-29-33(25)41-27-15-13-23(46-3)21-31(27)39-29/h4-5,8-15,20-21H,6-7,16-19H2,1-3H3,(H,36,43)(H,37,44).
What are the key properties of 7-methoxy-N-[3-[3-[(7-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide?
7-methoxy-N-[3-[3-[(7-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide has a molecular weight of 617.71 g/mol, XLogP of 4.77, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[3-[3-[(7-methoxyphenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide is sourced from PubChem (CID 10817617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).