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

C22H14N6OPt — CID 162492087

About 9-[(3-isocyano-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6,10-dihydro-5H-imidazo[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]-6,10-dihydro-5H-imidazo[1,2-c]quinazolin-10-ide;platinum(2+) (PubChem CID 162492087) has the molecular formula C22H14N6OPt and a molecular weight of 573.47 g/mol. Its IUPAC name is 9-[(3-isocyano-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6,10-dihydro-5H-imidazo[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]-6,10-dihydro-5H-imidazo[1,2-c]quinazolin-10-ide;platinum(2+)
• PubChem CID: 162492087
• Molecular Formula: C22H14N6OPt
• Molecular Weight: 573.47 g/mol
• Exact Mass: 573.09
• IUPAC Name: 9-[(3-isocyano-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6,10-dihydro-5H-imidazo[1,2-c]quinazolin-10-ide;platinum(2+)
• SMILES: [C-]#[N+]c1cnc2n1CCc1ccc(Oc3[c-]c4c(cc3)NCn3ccnc3-4)[c-]c1-2.[Pt+2]
• InChI: InChI=1S/C22H14N6O.Pt/c1-23-20-12-25-22-17-10-15(3-2-14(17)6-8-28(20)22)29-16-4-5-19-18(11-16)21-24-7-9-27(21)13-26-19;/h2-5,7,9,12,26H,6,8,13H2;/q-2;+2
• InChIKey: BVVUHRJKAPPSPA-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 61.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.47
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
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]-6,10-dihydro-5H-imidazo[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]-6,10-dihydro-5H-imidazo[1,2-c]quinazolin-10-ide;platinum(2+) (CID 162492087) is 9-[(3-isocyano-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6,10-dihydro-5H-imidazo[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]-6,10-dihydro-5H-imidazo[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]-6,10-dihydro-5H-imidazo[1,2-c]quinazolin-10-ide;platinum(2+) is [C-]#[N+]c1cnc2n1CCc1ccc(Oc3[c-]c4c(cc3)NCn3ccnc3-4)[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]-6,10-dihydro-5H-imidazo[1,2-c]quinazolin-10-ide;platinum(2+)?

The InChIKey is BVVUHRJKAPPSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N6O.Pt/c1-23-20-12-25-22-17-10-15(3-2-14(17)6-8-28(20)22)29-16-4-5-19-18(11-16)21-24-7-9-27(21)13-26-19;/h2-5,7,9,12,26H,6,8,13H2;/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]-6,10-dihydro-5H-imidazo[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]-6,10-dihydro-5H-imidazo[1,2-c]quinazolin-10-ide;platinum(2+) has a molecular weight of 573.47 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 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]-6,10-dihydro-5H-imidazo[1,2-c]quinazolin-10-ide;platinum(2+) is sourced from PubChem (CID 162492087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).