9-[(3-isocyano-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6-methyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+)

C23H16N6OPt — CID 162492065

About 9-[(3-isocyano-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6-methyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+)

9-[(3-isocyano-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6-methyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+) (PubChem CID 162492065) has the molecular formula C23H16N6OPt and a molecular weight of 587.50 g/mol. Its IUPAC name is 9-[(3-isocyano-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6-methyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-[(3-isocyano-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6-methyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+)
• PubChem CID: 162492065
• Molecular Formula: C23H16N6OPt
• Molecular Weight: 587.50 g/mol
• Exact Mass: 587.10
• IUPAC Name: 9-[(3-isocyano-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6-methyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+)
• SMILES: [C-]#[N+]c1cnc2n1CCc1ccc(Oc3[c-]c4c(cc3)N(C)Cn3ccnc3-4)[c-]c1-2.[Pt+2]
• InChI: InChI=1S/C23H16N6O.Pt/c1-24-21-13-26-23-18-11-16(4-3-15(18)7-9-29(21)23)30-17-5-6-20-19(12-17)22-25-8-10-28(22)14-27(20)2;/h3-6,8,10,13H,7,9,14H2,2H3;/q-2;+2
• InChIKey: JKZJWVFNPOLIBJ-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 52.47 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.50
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[(3-isocyano-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6-methyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+)?

The IUPAC name of 9-[(3-isocyano-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6-methyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+) (CID 162492065) is 9-[(3-isocyano-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6-methyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+).

What is the SMILES notation for 9-[(3-isocyano-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6-methyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+)?

The canonical SMILES for 9-[(3-isocyano-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6-methyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+) is [C-]#[N+]c1cnc2n1CCc1ccc(Oc3[c-]c4c(cc3)N(C)Cn3ccnc3-4)[c-]c1-2.[Pt+2].

What is the InChIKey of 9-[(3-isocyano-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6-methyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+)?

The InChIKey is JKZJWVFNPOLIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6O.Pt/c1-24-21-13-26-23-18-11-16(4-3-15(18)7-9-29(21)23)30-17-5-6-20-19(12-17)22-25-8-10-28(22)14-27(20)2;/h3-6,8,10,13H,7,9,14H2,2H3;/q-2;+2.

What are the key properties of 9-[(3-isocyano-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6-methyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+)?

9-[(3-isocyano-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6-methyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+) has a molecular weight of 587.50 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(3-isocyano-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6-methyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+) is sourced from PubChem (CID 162492065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).