bis(2-chloro-4-imidazol-1-yl-7-methoxyquinoline);bis(4-chloro-2-imidazol-1-yl-7-methoxyquinoline);2,4-dichloro-7-methoxyquinoline

C62H47Cl6N13O5 — CID 159578021

About bis(2-chloro-4-imidazol-1-yl-7-methoxyquinoline);bis(4-chloro-2-imidazol-1-yl-7-methoxyquinoline);2,4-dichloro-7-methoxyquinoline

bis(2-chloro-4-imidazol-1-yl-7-methoxyquinoline);bis(4-chloro-2-imidazol-1-yl-7-methoxyquinoline);2,4-dichloro-7-methoxyquinoline (PubChem CID 159578021) has the molecular formula C62H47Cl6N13O5 and a molecular weight of 1266.86 g/mol. Its IUPAC name is bis(2-chloro-4-imidazol-1-yl-7-methoxyquinoline);bis(4-chloro-2-imidazol-1-yl-7-methoxyquinoline);2,4-dichloro-7-methoxyquinoline.

Molecular Properties

• Compound Name: bis(2-chloro-4-imidazol-1-yl-7-methoxyquinoline);bis(4-chloro-2-imidazol-1-yl-7-methoxyquinoline);2,4-dichloro-7-methoxyquinoline
• PubChem CID: 159578021
• Molecular Formula: C62H47Cl6N13O5
• Molecular Weight: 1266.86 g/mol
• Exact Mass: 1263.20
• IUPAC Name: bis(2-chloro-4-imidazol-1-yl-7-methoxyquinoline);bis(4-chloro-2-imidazol-1-yl-7-methoxyquinoline);2,4-dichloro-7-methoxyquinoline
• SMILES: COc1ccc2c(-n3ccnc3)cc(Cl)nc2c1.COc1ccc2c(-n3ccnc3)cc(Cl)nc2c1.COc1ccc2c(Cl)cc(-n3ccnc3)nc2c1.COc1ccc2c(Cl)cc(-n3ccnc3)nc2c1.COc1ccc2c(Cl)cc(Cl)nc2c1
• InChI: InChI=1S/4C13H10ClN3O.C10H7Cl2NO/c2*1-18-9-2-3-10-11(14)7-13(16-12(10)6-9)17-5-4-15-8-17;2*1-18-9-2-3-10-11(6-9)16-13(14)7-12(10)17-5-4-15-8-17;1-14-6-2-3-7-8(11)5-10(12)13-9(7)4-6/h4*2-8H,1H3;2-5H,1H3
• InChIKey: MIQPMLHJXNUTCT-UHFFFAOYSA-N
• XLogP: 15.88
• TPSA: 181.88 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1266.86
LogP ≤ 5	15.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-chloro-4-imidazol-1-yl-7-methoxyquinoline);bis(4-chloro-2-imidazol-1-yl-7-methoxyquinoline);2,4-dichloro-7-methoxyquinoline?

The IUPAC name of bis(2-chloro-4-imidazol-1-yl-7-methoxyquinoline);bis(4-chloro-2-imidazol-1-yl-7-methoxyquinoline);2,4-dichloro-7-methoxyquinoline (CID 159578021) is bis(2-chloro-4-imidazol-1-yl-7-methoxyquinoline);bis(4-chloro-2-imidazol-1-yl-7-methoxyquinoline);2,4-dichloro-7-methoxyquinoline.

What is the SMILES notation for bis(2-chloro-4-imidazol-1-yl-7-methoxyquinoline);bis(4-chloro-2-imidazol-1-yl-7-methoxyquinoline);2,4-dichloro-7-methoxyquinoline?

The canonical SMILES for bis(2-chloro-4-imidazol-1-yl-7-methoxyquinoline);bis(4-chloro-2-imidazol-1-yl-7-methoxyquinoline);2,4-dichloro-7-methoxyquinoline is COc1ccc2c(-n3ccnc3)cc(Cl)nc2c1.COc1ccc2c(-n3ccnc3)cc(Cl)nc2c1.COc1ccc2c(Cl)cc(-n3ccnc3)nc2c1.COc1ccc2c(Cl)cc(-n3ccnc3)nc2c1.COc1ccc2c(Cl)cc(Cl)nc2c1.

What is the InChIKey of bis(2-chloro-4-imidazol-1-yl-7-methoxyquinoline);bis(4-chloro-2-imidazol-1-yl-7-methoxyquinoline);2,4-dichloro-7-methoxyquinoline?

The InChIKey is MIQPMLHJXNUTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H10ClN3O.C10H7Cl2NO/c2*1-18-9-2-3-10-11(14)7-13(16-12(10)6-9)17-5-4-15-8-17;2*1-18-9-2-3-10-11(6-9)16-13(14)7-12(10)17-5-4-15-8-17;1-14-6-2-3-7-8(11)5-10(12)13-9(7)4-6/h4*2-8H,1H3;2-5H,1H3.

What are the key properties of bis(2-chloro-4-imidazol-1-yl-7-methoxyquinoline);bis(4-chloro-2-imidazol-1-yl-7-methoxyquinoline);2,4-dichloro-7-methoxyquinoline?

bis(2-chloro-4-imidazol-1-yl-7-methoxyquinoline);bis(4-chloro-2-imidazol-1-yl-7-methoxyquinoline);2,4-dichloro-7-methoxyquinoline has a molecular weight of 1266.86 g/mol, XLogP of 15.88, 9 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-chloro-4-imidazol-1-yl-7-methoxyquinoline);bis(4-chloro-2-imidazol-1-yl-7-methoxyquinoline);2,4-dichloro-7-methoxyquinoline is sourced from PubChem (CID 159578021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).