trimethyl-[2-[5,7,12,14-tetraoxo-13-[2-(trimethylazaniumyl)ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]ethyl]azanium

C24H30N4O4+2 — CID 14342261

About trimethyl-[2-[5,7,12,14-tetraoxo-13-[2-(trimethylazaniumyl)ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]ethyl]azanium

trimethyl-[2-[5,7,12,14-tetraoxo-13-[2-(trimethylazaniumyl)ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]ethyl]azanium (PubChem CID 14342261) has the molecular formula C24H30N4O4+2 and a molecular weight of 438.53 g/mol. Its IUPAC name is trimethyl-[2-[5,7,12,14-tetraoxo-13-[2-(trimethylazaniumyl)ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]ethyl]azanium.

Molecular Properties

• Compound Name: trimethyl-[2-[5,7,12,14-tetraoxo-13-[2-(trimethylazaniumyl)ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]ethyl]azanium
• PubChem CID: 14342261
• Molecular Formula: C24H30N4O4+2
• Molecular Weight: 438.53 g/mol
• Exact Mass: 438.23
• IUPAC Name: trimethyl-[2-[5,7,12,14-tetraoxo-13-[2-(trimethylazaniumyl)ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]ethyl]azanium
• SMILES: C[N+](C)(C)CCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CC[N+](C)(C)C)C3=O
• InChI: InChI=1S/C24H30N4O4/c1-27(2,3)13-11-25-21(29)15-7-9-17-20-18(10-8-16(19(15)20)22(25)30)24(32)26(23(17)31)12-14-28(4,5)6/h7-10H,11-14H2,1-6H3/q+2
• InChIKey: MUZHPAZFPAJEEP-UHFFFAOYSA-N
• XLogP: 1.44
• TPSA: 74.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.53
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[5,7,12,14-tetraoxo-13-[2-(trimethylazaniumyl)ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]ethyl]azanium?

The IUPAC name of trimethyl-[2-[5,7,12,14-tetraoxo-13-[2-(trimethylazaniumyl)ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]ethyl]azanium (CID 14342261) is trimethyl-[2-[5,7,12,14-tetraoxo-13-[2-(trimethylazaniumyl)ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]ethyl]azanium.

What is the SMILES notation for trimethyl-[2-[5,7,12,14-tetraoxo-13-[2-(trimethylazaniumyl)ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]ethyl]azanium?

The canonical SMILES for trimethyl-[2-[5,7,12,14-tetraoxo-13-[2-(trimethylazaniumyl)ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]ethyl]azanium is C[N+](C)(C)CCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CC[N+](C)(C)C)C3=O.

What is the InChIKey of trimethyl-[2-[5,7,12,14-tetraoxo-13-[2-(trimethylazaniumyl)ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]ethyl]azanium?

The InChIKey is MUZHPAZFPAJEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-27(2,3)13-11-25-21(29)15-7-9-17-20-18(10-8-16(19(15)20)22(25)30)24(32)26(23(17)31)12-14-28(4,5)6/h7-10H,11-14H2,1-6H3/q+2.

What are the key properties of trimethyl-[2-[5,7,12,14-tetraoxo-13-[2-(trimethylazaniumyl)ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]ethyl]azanium?

trimethyl-[2-[5,7,12,14-tetraoxo-13-[2-(trimethylazaniumyl)ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]ethyl]azanium has a molecular weight of 438.53 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-[5,7,12,14-tetraoxo-13-[2-(trimethylazaniumyl)ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]ethyl]azanium is sourced from PubChem (CID 14342261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).