2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)quinolin-4-yl] formate;2-phenylpyridine;ruthenium(1+)

C51H32N5O8Ru — CID 58321392

About 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)quinolin-4-yl] formate;2-phenylpyridine;ruthenium(1+)

2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)quinolin-4-yl] formate;2-phenylpyridine;ruthenium(1+) (PubChem CID 58321392) has the molecular formula C51H32N5O8Ru and a molecular weight of 943.91 g/mol. Its IUPAC name is 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)quinolin-4-yl] formate;2-phenylpyridine;ruthenium(1+).

Molecular Properties

• Compound Name: 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)quinolin-4-yl] formate;2-phenylpyridine;ruthenium(1+)
• PubChem CID: 58321392
• Molecular Formula: C51H32N5O8Ru
• Molecular Weight: 943.91 g/mol
• Exact Mass: 944.13
• IUPAC Name: 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)quinolin-4-yl] formate;2-phenylpyridine;ruthenium(1+)
• SMILES: O=C(O)c1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12.O=COc1cc(-c2cc(OC=O)c3ccccc3n2)nc2ccccc12.[Ru+].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/2C20H12N2O4.C11H8N.Ru/c23-11-25-19-9-17(21-15-7-3-1-5-13(15)19)18-10-20(26-12-24)14-6-2-4-8-16(14)22-18;23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-12H;1-10H,(H,23,24)(H,25,26);1-6,8-9H;/q;;-1;+1
• InChIKey: USWPSPZFQAYJEZ-UHFFFAOYSA-N
• XLogP: 9.91
• TPSA: 191.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	943.91
LogP ≤ 5	9.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)quinolin-4-yl] formate;2-phenylpyridine;ruthenium(1+)?

The IUPAC name of 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)quinolin-4-yl] formate;2-phenylpyridine;ruthenium(1+) (CID 58321392) is 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)quinolin-4-yl] formate;2-phenylpyridine;ruthenium(1+).

What is the SMILES notation for 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)quinolin-4-yl] formate;2-phenylpyridine;ruthenium(1+)?

The canonical SMILES for 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)quinolin-4-yl] formate;2-phenylpyridine;ruthenium(1+) is O=C(O)c1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12.O=COc1cc(-c2cc(OC=O)c3ccccc3n2)nc2ccccc12.[Ru+].[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)quinolin-4-yl] formate;2-phenylpyridine;ruthenium(1+)?

The InChIKey is USWPSPZFQAYJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H12N2O4.C11H8N.Ru/c23-11-25-19-9-17(21-15-7-3-1-5-13(15)19)18-10-20(26-12-24)14-6-2-4-8-16(14)22-18;23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-12H;1-10H,(H,23,24)(H,25,26);1-6,8-9H;/q;;-1;+1.

What are the key properties of 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)quinolin-4-yl] formate;2-phenylpyridine;ruthenium(1+)?

2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)quinolin-4-yl] formate;2-phenylpyridine;ruthenium(1+) has a molecular weight of 943.91 g/mol, XLogP of 9.91, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)quinolin-4-yl] formate;2-phenylpyridine;ruthenium(1+) is sourced from PubChem (CID 58321392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).