9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6,7-dimethyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+)

C25H20N6OPt — CID 162492067

About 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6,7-dimethyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+)

9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6,7-dimethyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+) (PubChem CID 162492067) has the molecular formula C25H20N6OPt and a molecular weight of 615.55 g/mol. Its IUPAC name is 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6,7-dimethyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6,7-dimethyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+)
• PubChem CID: 162492067
• Molecular Formula: C25H20N6OPt
• Molecular Weight: 615.55 g/mol
• Exact Mass: 615.13
• IUPAC Name: 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6,7-dimethyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+)
• SMILES: [C-]#[N+]c1cnc2n1CCc1c-2[c-]c(Oc2[c-]c3c(c(C)c2)N(C)Cn2ccnc2-3)cc1C.[Pt+2]
• InChI: InChI=1S/C25H20N6O.Pt/c1-15-9-17(11-20-19(15)5-7-31-22(26-3)13-28-25(20)31)32-18-10-16(2)23-21(12-18)24-27-6-8-30(24)14-29(23)4;/h6,8-10,13H,5,7,14H2,1-2,4H3;/q-2;+2
• InChIKey: WRUDBIOFSUGQJU-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 52.47 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	615.55
LogP ≤ 5	4.93
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-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6,7-dimethyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+)?

The IUPAC name of 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6,7-dimethyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+) (CID 162492067) is 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6,7-dimethyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+).

What is the SMILES notation for 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6,7-dimethyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+)?

The canonical SMILES for 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6,7-dimethyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+) is [C-]#[N+]c1cnc2n1CCc1c-2[c-]c(Oc2[c-]c3c(c(C)c2)N(C)Cn2ccnc2-3)cc1C.[Pt+2].

What is the InChIKey of 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6,7-dimethyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+)?

The InChIKey is WRUDBIOFSUGQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O.Pt/c1-15-9-17(11-20-19(15)5-7-31-22(26-3)13-28-25(20)31)32-18-10-16(2)23-21(12-18)24-27-6-8-30(24)14-29(23)4;/h6,8-10,13H,5,7,14H2,1-2,4H3;/q-2;+2.

What are the key properties of 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6,7-dimethyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+)?

9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6,7-dimethyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+) has a molecular weight of 615.55 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6,7-dimethyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+) is sourced from PubChem (CID 162492067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).