8-chloro-N-[3-[3-[(8-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide

C33H29Cl2N7O2 — CID 10555931

About 8-chloro-N-[3-[3-[(8-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide

8-chloro-N-[3-[3-[(8-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide (PubChem CID 10555931) has the molecular formula C33H29Cl2N7O2 and a molecular weight of 626.55 g/mol. Its IUPAC name is 8-chloro-N-[3-[3-[(8-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide.

Molecular Properties

• Compound Name: 8-chloro-N-[3-[3-[(8-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide
• PubChem CID: 10555931
• Molecular Formula: C33H29Cl2N7O2
• Molecular Weight: 626.55 g/mol
• Exact Mass: 625.18
• IUPAC Name: 8-chloro-N-[3-[3-[(8-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide
• SMILES: CN(CCCNC(=O)c1cccc2nc3ccc(Cl)cc3nc12)CCCNC(=O)c1cccc2nc3ccc(Cl)cc3nc12
• InChI: InChI=1S/C33H29Cl2N7O2/c1-42(16-4-14-36-32(43)22-6-2-8-26-30(22)40-28-18-20(34)10-12-24(28)38-26)17-5-15-37-33(44)23-7-3-9-27-31(23)41-29-19-21(35)11-13-25(29)39-27/h2-3,6-13,18-19H,4-5,14-17H2,1H3,(H,36,43)(H,37,44)
• InChIKey: HRMKUQMCKBKIBX-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 113.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
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'}

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[3-[3-[(8-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide?

The IUPAC name of 8-chloro-N-[3-[3-[(8-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide (CID 10555931) is 8-chloro-N-[3-[3-[(8-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide.

What is the SMILES notation for 8-chloro-N-[3-[3-[(8-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide?

The canonical SMILES for 8-chloro-N-[3-[3-[(8-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide is CN(CCCNC(=O)c1cccc2nc3ccc(Cl)cc3nc12)CCCNC(=O)c1cccc2nc3ccc(Cl)cc3nc12.

What is the InChIKey of 8-chloro-N-[3-[3-[(8-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide?

The InChIKey is HRMKUQMCKBKIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29Cl2N7O2/c1-42(16-4-14-36-32(43)22-6-2-8-26-30(22)40-28-18-20(34)10-12-24(28)38-26)17-5-15-37-33(44)23-7-3-9-27-31(23)41-29-19-21(35)11-13-25(29)39-27/h2-3,6-13,18-19H,4-5,14-17H2,1H3,(H,36,43)(H,37,44).

What are the key properties of 8-chloro-N-[3-[3-[(8-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide?

8-chloro-N-[3-[3-[(8-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 8-chloro-N-[3-[3-[(8-chlorophenazine-1-carbonyl)amino]propyl-methylamino]propyl]phenazine-1-carboxamide is sourced from PubChem (CID 10555931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).