1-[2-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxyquinazolin-4-yl]benzimidazol-2-ol;platinum

C30H18N5O2Pt- — CID 165161309

About 1-[2-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxyquinazolin-4-yl]benzimidazol-2-ol;platinum

1-[2-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxyquinazolin-4-yl]benzimidazol-2-ol;platinum (PubChem CID 165161309) has the molecular formula C30H18N5O2Pt- and a molecular weight of 675.59 g/mol. Its IUPAC name is 1-[2-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxyquinazolin-4-yl]benzimidazol-2-ol;platinum.

Molecular Properties

• Compound Name: 1-[2-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxyquinazolin-4-yl]benzimidazol-2-ol;platinum
• PubChem CID: 165161309
• Molecular Formula: C30H18N5O2Pt-
• Molecular Weight: 675.59 g/mol
• Exact Mass: 675.11
• IUPAC Name: 1-[2-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxyquinazolin-4-yl]benzimidazol-2-ol;platinum
• SMILES: Oc1nc2ccccc2n1-c1nc(Oc2[c-]c(-c3cc4ccccc4cn3)ccc2)nc2ccccc12.[Pt]
• InChI: InChI=1S/C30H18N5O2.Pt/c36-30-33-25-14-5-6-15-27(25)35(30)28-23-12-3-4-13-24(23)32-29(34-28)37-22-11-7-10-20(16-22)26-17-19-8-1-2-9-21(19)18-31-26;/h1-15,17-18H,(H,33,36);/q-1
• InChIKey: MSEQUGDKFHZAQY-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 85.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.59
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxyquinazolin-4-yl]benzimidazol-2-ol;platinum?

The IUPAC name of 1-[2-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxyquinazolin-4-yl]benzimidazol-2-ol;platinum (CID 165161309) is 1-[2-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxyquinazolin-4-yl]benzimidazol-2-ol;platinum.

What is the SMILES notation for 1-[2-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxyquinazolin-4-yl]benzimidazol-2-ol;platinum?

The canonical SMILES for 1-[2-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxyquinazolin-4-yl]benzimidazol-2-ol;platinum is Oc1nc2ccccc2n1-c1nc(Oc2[c-]c(-c3cc4ccccc4cn3)ccc2)nc2ccccc12.[Pt].

What is the InChIKey of 1-[2-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxyquinazolin-4-yl]benzimidazol-2-ol;platinum?

The InChIKey is MSEQUGDKFHZAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N5O2.Pt/c36-30-33-25-14-5-6-15-27(25)35(30)28-23-12-3-4-13-24(23)32-29(34-28)37-22-11-7-10-20(16-22)26-17-19-8-1-2-9-21(19)18-31-26;/h1-15,17-18H,(H,33,36);/q-1;.

What are the key properties of 1-[2-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxyquinazolin-4-yl]benzimidazol-2-ol;platinum?

1-[2-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxyquinazolin-4-yl]benzimidazol-2-ol;platinum has a molecular weight of 675.59 g/mol, XLogP of 6.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxyquinazolin-4-yl]benzimidazol-2-ol;platinum is sourced from PubChem (CID 165161309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).