2-[[8-chloro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione;tributyl-(3-methylimidazol-4-yl)stannane

C56H57Cl3N8O4Sn — CID 159668687

About 2-[[8-chloro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione;tributyl-(3-methylimidazol-4-yl)stannane

2-[[8-chloro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione;tributyl-(3-methylimidazol-4-yl)stannane (PubChem CID 159668687) has the molecular formula C56H57Cl3N8O4Sn and a molecular weight of 1131.19 g/mol. Its IUPAC name is 2-[[8-chloro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione;tributyl-(3-methylimidazol-4-yl)stannane.

Molecular Properties

• Compound Name: 2-[[8-chloro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione;tributyl-(3-methylimidazol-4-yl)stannane
• PubChem CID: 159668687
• Molecular Formula: C56H57Cl3N8O4Sn
• Molecular Weight: 1131.19 g/mol
• Exact Mass: 1130.26
• IUPAC Name: 2-[[8-chloro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione;tributyl-(3-methylimidazol-4-yl)stannane
• SMILES: CCCC[Sn](CCCC)(CCCC)c1cncn1C.Cn1cncc1-c1nc2c(Cl)cccc2cc1CN1C(=O)c2ccccc2C1=O.O=C1c2ccccc2C(=O)N1Cc1cc2cccc(Cl)c2nc1Cl
• InChI: InChI=1S/C22H15ClN4O2.C18H10Cl2N2O2.C4H5N2.3C4H9.Sn/c1-26-12-24-10-18(26)20-14(9-13-5-4-8-17(23)19(13)25-20)11-27-21(28)15-6-2-3-7-16(15)22(27)29;19-14-7-3-4-10-8-11(16(20)21-15(10)14)9-22-17(23)12-5-1-2-6-13(12)18(22)24;1-6-3-2-5-4-6;3*1-3-4-2;/h2-10,12H,11H2,1H3;1-8H,9H2;2,4H,1H3;3*1,3-4H2,2H3
• InChIKey: MTSWWVIOZFNBCJ-UHFFFAOYSA-N
• XLogP: 12.90
• TPSA: 136.18 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1131.19
LogP ≤ 5	12.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[8-chloro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione;tributyl-(3-methylimidazol-4-yl)stannane?

The IUPAC name of 2-[[8-chloro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione;tributyl-(3-methylimidazol-4-yl)stannane (CID 159668687) is 2-[[8-chloro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione;tributyl-(3-methylimidazol-4-yl)stannane.

What is the SMILES notation for 2-[[8-chloro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione;tributyl-(3-methylimidazol-4-yl)stannane?

The canonical SMILES for 2-[[8-chloro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione;tributyl-(3-methylimidazol-4-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1cncn1C.Cn1cncc1-c1nc2c(Cl)cccc2cc1CN1C(=O)c2ccccc2C1=O.O=C1c2ccccc2C(=O)N1Cc1cc2cccc(Cl)c2nc1Cl.

What is the InChIKey of 2-[[8-chloro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione;tributyl-(3-methylimidazol-4-yl)stannane?

The InChIKey is MTSWWVIOZFNBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O2.C18H10Cl2N2O2.C4H5N2.3C4H9.Sn/c1-26-12-24-10-18(26)20-14(9-13-5-4-8-17(23)19(13)25-20)11-27-21(28)15-6-2-3-7-16(15)22(27)29;19-14-7-3-4-10-8-11(16(20)21-15(10)14)9-22-17(23)12-5-1-2-6-13(12)18(22)24;1-6-3-2-5-4-6;3*1-3-4-2;/h2-10,12H,11H2,1H3;1-8H,9H2;2,4H,1H3;3*1,3-4H2,2H3;.

What are the key properties of 2-[[8-chloro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione;tributyl-(3-methylimidazol-4-yl)stannane?

2-[[8-chloro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione;tributyl-(3-methylimidazol-4-yl)stannane has a molecular weight of 1131.19 g/mol, XLogP of 12.90, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[8-chloro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]isoindole-1,3-dione;2-[(2,8-dichloroquinolin-3-yl)methyl]isoindole-1,3-dione;tributyl-(3-methylimidazol-4-yl)stannane is sourced from PubChem (CID 159668687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).