About 3-chloro-N-[3-[3-[(3-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide
3-chloro-N-[3-[3-[(3-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide (PubChem CID 10603992) has the molecular formula C33H29Cl2N7O2
and a molecular weight of 626.55 g/mol. Its IUPAC name is 3-chloro-N-[3-[3-[(3-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide.
Molecular Properties
| Compound Name | 3-chloro-N-[3-[3-[(3-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide |
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| PubChem CID | 10603992 |
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| Molecular Formula | C33H29Cl2N7O2 |
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| Molecular Weight | 626.55 g/mol |
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| Exact Mass | 625.18 |
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| IUPAC Name | 3-chloro-N-[3-[3-[(3-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide |
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| SMILES | CN(CCCNC(=O)c1cc(Cl)cc2nc3ccccc3nc12)CCCNC(=O)c1cc(Cl)cc2nc3ccccc3nc12 |
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| InChI | InChI=1S/C33H29Cl2N7O2/c1-42(14-6-12-36-32(43)22-16-20(34)18-28-30(22)40-26-10-4-2-8-24(26)38-28)15-7-13-37-33(44)23-17-21(35)19-29-31(23)41-27-11-5-3-9-25(27)39-29/h2-5,8-11,16-19H,6-7,12-15H2,1H3,(H,36,43)(H,37,44) |
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| InChIKey | IDRRUTLTKVESND-UHFFFAOYSA-N |
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| XLogP | 6.06 |
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| TPSA | 113.00 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 44 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 626.55 |
| LogP ≤ 5 | 6.06 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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 3-chloro-N-[3-[3-[(3-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide?
The IUPAC name of 3-chloro-N-[3-[3-[(3-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide (CID 10603992) is 3-chloro-N-[3-[3-[(3-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide.
What is the SMILES notation for 3-chloro-N-[3-[3-[(3-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide?
The canonical SMILES for 3-chloro-N-[3-[3-[(3-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide is CN(CCCNC(=O)c1cc(Cl)cc2nc3ccccc3nc12)CCCNC(=O)c1cc(Cl)cc2nc3ccccc3nc12.
What is the InChIKey of 3-chloro-N-[3-[3-[(3-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide?
The InChIKey is IDRRUTLTKVESND-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29Cl2N7O2/c1-42(14-6-12-36-32(43)22-16-20(34)18-28-30(22)40-26-10-4-2-8-24(26)38-28)15-7-13-37-33(44)23-17-21(35)19-29-31(23)41-27-11-5-3-9-25(27)39-29/h2-5,8-11,16-19H,6-7,12-15H2,1H3,(H,36,43)(H,37,44).
What are the key properties of 3-chloro-N-[3-[3-[(3-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide?
3-chloro-N-[3-[3-[(3-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide has a molecular weight of 626.55 g/mol, XLogP of 6.06, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[3-[(3-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide is sourced from PubChem (CID 10603992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).