8-(7-cyclopentyl-3-methylquinazolin-3-ium-4-yl)-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-8-[3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium-4-yl]-[1]benzofuro[2,3-b]pyridine;8-[7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium-4-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine

C122H100F12N15O5+5 — CID 159732573

About 8-(7-cyclopentyl-3-methylquinazolin-3-ium-4-yl)-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-8-[3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium-4-yl]-[1]benzofuro[2,3-b]pyridine;8-[7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium-4-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine

8-(7-cyclopentyl-3-methylquinazolin-3-ium-4-yl)-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-8-[3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium-4-yl]-[1]benzofuro[2,3-b]pyridine;8-[7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium-4-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 159732573) has the molecular formula C122H100F12N15O5+5 and a molecular weight of 2084.22 g/mol. Its IUPAC name is 8-(7-cyclopentyl-3-methylquinazolin-3-ium-4-yl)-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-8-[3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium-4-yl]-[1]benzofuro[2,3-b]pyridine;8-[7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium-4-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-(7-cyclopentyl-3-methylquinazolin-3-ium-4-yl)-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-8-[3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium-4-yl]-[1]benzofuro[2,3-b]pyridine;8-[7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium-4-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 159732573
• Molecular Formula: C122H100F12N15O5+5
• Molecular Weight: 2084.22 g/mol
• Exact Mass: 2082.78
• IUPAC Name: 8-(7-cyclopentyl-3-methylquinazolin-3-ium-4-yl)-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-8-[3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium-4-yl]-[1]benzofuro[2,3-b]pyridine;8-[7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium-4-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1cc2c(oc3nc(F)cc(F)c32)c(-c2c3ccccc3nc[n+]2C)c1C.Cc1cc2c(oc3nc(F)ccc32)c(-c2c3ccccc3nc[n+]2C)c1C.Cc1ccc2c(oc3nc(F)cc(F)c32)c1-c1c2ccc(C3CCCC3)cc2nc[n+]1C.Cc1ccc2c(oc3nc(F)cc(F)c32)c1-c1c2ccc(CC(C)(C)C(F)(F)F)cc2nc[n+]1C.Cc1ccc2c(oc3nc(F)cc(F)c32)c1-c1c2ccc(CC(C)(C)C)cc2nc[n+]1C
• InChI: InChI=1S/C26H21F5N3O.C26H22F2N3O.C26H24F2N3O.C22H16F2N3O.C22H17FN3O/c1-13-5-7-16-21-17(27)10-19(28)33-24(21)35-23(16)20(13)22-15-8-6-14(9-18(15)32-12-34(22)4)11-25(2,3)26(29,30)31;1-14-7-9-18-23-19(27)12-21(28)30-26(23)32-25(18)22(14)24-17-10-8-16(15-5-3-4-6-15)11-20(17)29-13-31(24)2;1-14-6-8-17-22-18(27)11-20(28)30-25(22)32-24(17)21(14)23-16-9-7-15(12-26(2,3)4)10-19(16)29-13-31(23)5;1-11-8-14-19-15(23)9-17(24)26-22(19)28-21(14)18(12(11)2)20-13-6-4-5-7-16(13)25-10-27(20)3;1-12-10-16-14-8-9-18(23)25-22(14)27-21(16)19(13(12)2)20-15-6-4-5-7-17(15)24-11-26(20)3/h5-10,12H,11H2,1-4H3;7-13,15H,3-6H2,1-2H3;6-11,13H,12H2,1-5H3;4-10H,1-3H3;4-11H,1-3H3/q5*+1
• InChIKey: XZBQOPRVXQKOAL-UHFFFAOYSA-N
• XLogP: 28.89
• TPSA: 214.00 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2084.22
LogP ≤ 5	28.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(7-cyclopentyl-3-methylquinazolin-3-ium-4-yl)-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-8-[3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium-4-yl]-[1]benzofuro[2,3-b]pyridine;8-[7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium-4-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-(7-cyclopentyl-3-methylquinazolin-3-ium-4-yl)-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-8-[3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium-4-yl]-[1]benzofuro[2,3-b]pyridine;8-[7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium-4-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine (CID 159732573) is 8-(7-cyclopentyl-3-methylquinazolin-3-ium-4-yl)-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-8-[3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium-4-yl]-[1]benzofuro[2,3-b]pyridine;8-[7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium-4-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 8-(7-cyclopentyl-3-methylquinazolin-3-ium-4-yl)-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-8-[3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium-4-yl]-[1]benzofuro[2,3-b]pyridine;8-[7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium-4-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 8-(7-cyclopentyl-3-methylquinazolin-3-ium-4-yl)-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-8-[3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium-4-yl]-[1]benzofuro[2,3-b]pyridine;8-[7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium-4-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine is Cc1cc2c(oc3nc(F)cc(F)c32)c(-c2c3ccccc3nc[n+]2C)c1C.Cc1cc2c(oc3nc(F)ccc32)c(-c2c3ccccc3nc[n+]2C)c1C.Cc1ccc2c(oc3nc(F)cc(F)c32)c1-c1c2ccc(C3CCCC3)cc2nc[n+]1C.Cc1ccc2c(oc3nc(F)cc(F)c32)c1-c1c2ccc(CC(C)(C)C(F)(F)F)cc2nc[n+]1C.Cc1ccc2c(oc3nc(F)cc(F)c32)c1-c1c2ccc(CC(C)(C)C)cc2nc[n+]1C.

What is the InChIKey of 8-(7-cyclopentyl-3-methylquinazolin-3-ium-4-yl)-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-8-[3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium-4-yl]-[1]benzofuro[2,3-b]pyridine;8-[7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium-4-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine?

The InChIKey is XZBQOPRVXQKOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F5N3O.C26H22F2N3O.C26H24F2N3O.C22H16F2N3O.C22H17FN3O/c1-13-5-7-16-21-17(27)10-19(28)33-24(21)35-23(16)20(13)22-15-8-6-14(9-18(15)32-12-34(22)4)11-25(2,3)26(29,30)31;1-14-7-9-18-23-19(27)12-21(28)30-26(23)32-25(18)22(14)24-17-10-8-16(15-5-3-4-6-15)11-20(17)29-13-31(24)2;1-14-6-8-17-22-18(27)11-20(28)30-25(22)32-24(17)21(14)23-16-9-7-15(12-26(2,3)4)10-19(16)29-13-31(23)5;1-11-8-14-19-15(23)9-17(24)26-22(19)28-21(14)18(12(11)2)20-13-6-4-5-7-16(13)25-10-27(20)3;1-12-10-16-14-8-9-18(23)25-22(14)27-21(16)19(13(12)2)20-15-6-4-5-7-17(15)24-11-26(20)3/h5-10,12H,11H2,1-4H3;7-13,15H,3-6H2,1-2H3;6-11,13H,12H2,1-5H3;4-10H,1-3H3;4-11H,1-3H3/q5*+1.

What are the key properties of 8-(7-cyclopentyl-3-methylquinazolin-3-ium-4-yl)-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-8-[3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium-4-yl]-[1]benzofuro[2,3-b]pyridine;8-[7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium-4-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine?

8-(7-cyclopentyl-3-methylquinazolin-3-ium-4-yl)-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-8-[3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium-4-yl]-[1]benzofuro[2,3-b]pyridine;8-[7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium-4-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 2084.22 g/mol, XLogP of 28.89, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(7-cyclopentyl-3-methylquinazolin-3-ium-4-yl)-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine;2,4-difluoro-7-methyl-8-[3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium-4-yl]-[1]benzofuro[2,3-b]pyridine;8-[7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium-4-yl]-2,4-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine;2-fluoro-6,7-dimethyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 159732573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).