About 8-chloro-N-[3-[3-[(8-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide
8-chloro-N-[3-[3-[(8-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide (PubChem CID 10508169) has the molecular formula C35H31Cl2N5O2
and a molecular weight of 624.57 g/mol. Its IUPAC name is 8-chloro-N-[3-[3-[(8-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide.
Molecular Properties
| Compound Name | 8-chloro-N-[3-[3-[(8-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide |
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| PubChem CID | 10508169 |
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| Molecular Formula | C35H31Cl2N5O2 |
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| Molecular Weight | 624.57 g/mol |
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| Exact Mass | 623.19 |
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| IUPAC Name | 8-chloro-N-[3-[3-[(8-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide |
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| SMILES | CN(CCCNC(=O)c1cccc2cc3c(Cl)cccc3nc12)CCCNC(=O)c1cccc2cc3c(Cl)cccc3nc12 |
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| InChI | InChI=1S/C35H31Cl2N5O2/c1-42(18-6-16-38-34(43)24-10-2-8-22-20-26-28(36)12-4-14-30(26)40-32(22)24)19-7-17-39-35(44)25-11-3-9-23-21-27-29(37)13-5-15-31(27)41-33(23)25/h2-5,8-15,20-21H,6-7,16-19H2,1H3,(H,38,43)(H,39,44) |
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| InChIKey | ZAUUUDLUERXKOQ-UHFFFAOYSA-N |
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| XLogP | 7.27 |
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| TPSA | 87.22 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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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 | 624.57 |
| LogP ≤ 5 | 7.27 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
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 8-chloro-N-[3-[3-[(8-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide?
The IUPAC name of 8-chloro-N-[3-[3-[(8-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide (CID 10508169) is 8-chloro-N-[3-[3-[(8-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide.
What is the SMILES notation for 8-chloro-N-[3-[3-[(8-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide?
The canonical SMILES for 8-chloro-N-[3-[3-[(8-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide is CN(CCCNC(=O)c1cccc2cc3c(Cl)cccc3nc12)CCCNC(=O)c1cccc2cc3c(Cl)cccc3nc12.
What is the InChIKey of 8-chloro-N-[3-[3-[(8-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide?
The InChIKey is ZAUUUDLUERXKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31Cl2N5O2/c1-42(18-6-16-38-34(43)24-10-2-8-22-20-26-28(36)12-4-14-30(26)40-32(22)24)19-7-17-39-35(44)25-11-3-9-23-21-27-29(37)13-5-15-31(27)41-33(23)25/h2-5,8-15,20-21H,6-7,16-19H2,1H3,(H,38,43)(H,39,44).
What are the key properties of 8-chloro-N-[3-[3-[(8-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide?
8-chloro-N-[3-[3-[(8-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide has a molecular weight of 624.57 g/mol, XLogP of 7.27, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[3-[3-[(8-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide is sourced from PubChem (CID 10508169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).