N-[2-[3-[3-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)propyl-methylamino]propyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]acetamide

C35H32N4O5 — CID 10326046

About N-[2-[3-[3-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)propyl-methylamino]propyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]acetamide

N-[2-[3-[3-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)propyl-methylamino]propyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]acetamide (PubChem CID 10326046) has the molecular formula C35H32N4O5 and a molecular weight of 588.66 g/mol. Its IUPAC name is N-[2-[3-[3-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)propyl-methylamino]propyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-[3-[3-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)propyl-methylamino]propyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]acetamide
• PubChem CID: 10326046
• Molecular Formula: C35H32N4O5
• Molecular Weight: 588.66 g/mol
• Exact Mass: 588.24
• IUPAC Name: N-[2-[3-[3-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)propyl-methylamino]propyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]acetamide
• SMILES: CC(=O)Nc1cc2c3c(cccc3c1)C(=O)N(CCCN(C)CCCN1C(=O)c3ccc4c5c(ccc(c35)C1=O)CC4)C2=O
• InChI: InChI=1S/C35H32N4O5/c1-20(40)36-24-18-23-6-3-7-25-30(23)28(19-24)35(44)39(32(25)41)17-5-15-37(2)14-4-16-38-33(42)26-12-10-21-8-9-22-11-13-27(34(38)43)31(26)29(21)22/h3,6-7,10-13,18-19H,4-5,8-9,14-17H2,1-2H3,(H,36,40)
• InChIKey: NIJKSIRJVHREEC-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 107.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.66
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[3-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)propyl-methylamino]propyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]acetamide?

The IUPAC name of N-[2-[3-[3-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)propyl-methylamino]propyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]acetamide (CID 10326046) is N-[2-[3-[3-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)propyl-methylamino]propyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]acetamide.

What is the SMILES notation for N-[2-[3-[3-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)propyl-methylamino]propyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]acetamide?

The canonical SMILES for N-[2-[3-[3-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)propyl-methylamino]propyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]acetamide is CC(=O)Nc1cc2c3c(cccc3c1)C(=O)N(CCCN(C)CCCN1C(=O)c3ccc4c5c(ccc(c35)C1=O)CC4)C2=O.

What is the InChIKey of N-[2-[3-[3-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)propyl-methylamino]propyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]acetamide?

The InChIKey is NIJKSIRJVHREEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N4O5/c1-20(40)36-24-18-23-6-3-7-25-30(23)28(19-24)35(44)39(32(25)41)17-5-15-37(2)14-4-16-38-33(42)26-12-10-21-8-9-22-11-13-27(34(38)43)31(26)29(21)22/h3,6-7,10-13,18-19H,4-5,8-9,14-17H2,1-2H3,(H,36,40).

What are the key properties of N-[2-[3-[3-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)propyl-methylamino]propyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]acetamide?

N-[2-[3-[3-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)propyl-methylamino]propyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]acetamide has a molecular weight of 588.66 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[3-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)propyl-methylamino]propyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]acetamide is sourced from PubChem (CID 10326046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).