7-cyclopentyl-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium;7-(2,2-dimethylpropyl)-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium

C134H119F10N10O5+5 — CID 159693364

About 7-cyclopentyl-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium;7-(2,2-dimethylpropyl)-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium

7-cyclopentyl-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium;7-(2,2-dimethylpropyl)-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium (PubChem CID 159693364) has the molecular formula C134H119F10N10O5+5 and a molecular weight of 2139.47 g/mol. Its IUPAC name is 7-cyclopentyl-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium;7-(2,2-dimethylpropyl)-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium.

Molecular Properties

• Compound Name: 7-cyclopentyl-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium;7-(2,2-dimethylpropyl)-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium
• PubChem CID: 159693364
• Molecular Formula: C134H119F10N10O5+5
• Molecular Weight: 2139.47 g/mol
• Exact Mass: 2137.92
• IUPAC Name: 7-cyclopentyl-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium;7-(2,2-dimethylpropyl)-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium
• SMILES: Cc1ccc2c(oc3cc(F)cc(F)c32)c1-c1c2ccc(C(C)C)cc2nc[n+]1C.Cc1ccc2c(oc3cc(F)cc(F)c32)c1-c1c2ccc(CC3CCCC3)cc2nc[n+]1C.Cc1ccc2c(oc3cc(F)ccc32)c1-c1c2ccc(C3CCCC3)cc2nc[n+]1C.Cc1ccc2c(oc3cc(F)ccc32)c1-c1c2ccc(CC(C)(C)C(F)(F)F)cc2nc[n+]1C.Cc1ccc2c(oc3cc(F)ccc32)c1-c1c2ccc(CC(C)(C)C)cc2nc[n+]1C
• InChI: InChI=1S/C28H25F2N2O.C27H23F4N2O.C27H24FN2O.C27H26FN2O.C25H21F2N2O/c1-16-7-9-21-26-22(30)13-19(29)14-24(26)33-28(21)25(16)27-20-10-8-18(11-17-5-3-4-6-17)12-23(20)31-15-32(27)2;1-15-5-8-19-18-10-7-17(28)12-22(18)34-25(19)23(15)24-20-9-6-16(11-21(20)32-14-33(24)4)13-26(2,3)27(29,30)31;1-16-7-10-21-20-12-9-19(28)14-24(20)31-27(21)25(16)26-22-11-8-18(17-5-3-4-6-17)13-23(22)29-15-30(26)2;1-16-6-9-20-19-11-8-18(28)13-23(19)31-26(20)24(16)25-21-10-7-17(14-27(2,3)4)12-22(21)29-15-30(25)5;1-13(2)15-6-8-17-20(9-15)28-12-29(4)24(17)22-14(3)5-7-18-23-19(27)10-16(26)11-21(23)30-25(18)22/h7-10,12-15,17H,3-6,11H2,1-2H3;5-12,14H,13H2,1-4H3;7-15,17H,3-6H2,1-2H3;6-13,15H,14H2,1-5H3;5-13H,1-4H3/q5*+1
• InChIKey: WIJXTQZANCSZBI-UHFFFAOYSA-N
• XLogP: 33.88
• TPSA: 149.55 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2139.47
LogP ≤ 5	33.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium;7-(2,2-dimethylpropyl)-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium?

The IUPAC name of 7-cyclopentyl-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium;7-(2,2-dimethylpropyl)-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium (CID 159693364) is 7-cyclopentyl-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium;7-(2,2-dimethylpropyl)-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium.

What is the SMILES notation for 7-cyclopentyl-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium;7-(2,2-dimethylpropyl)-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium?

The canonical SMILES for 7-cyclopentyl-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium;7-(2,2-dimethylpropyl)-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium is Cc1ccc2c(oc3cc(F)cc(F)c32)c1-c1c2ccc(C(C)C)cc2nc[n+]1C.Cc1ccc2c(oc3cc(F)cc(F)c32)c1-c1c2ccc(CC3CCCC3)cc2nc[n+]1C.Cc1ccc2c(oc3cc(F)ccc32)c1-c1c2ccc(C3CCCC3)cc2nc[n+]1C.Cc1ccc2c(oc3cc(F)ccc32)c1-c1c2ccc(CC(C)(C)C(F)(F)F)cc2nc[n+]1C.Cc1ccc2c(oc3cc(F)ccc32)c1-c1c2ccc(CC(C)(C)C)cc2nc[n+]1C.

What is the InChIKey of 7-cyclopentyl-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium;7-(2,2-dimethylpropyl)-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium?

The InChIKey is WIJXTQZANCSZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2N2O.C27H23F4N2O.C27H24FN2O.C27H26FN2O.C25H21F2N2O/c1-16-7-9-21-26-22(30)13-19(29)14-24(26)33-28(21)25(16)27-20-10-8-18(11-17-5-3-4-6-17)12-23(20)31-15-32(27)2;1-15-5-8-19-18-10-7-17(28)12-22(18)34-25(19)23(15)24-20-9-6-16(11-21(20)32-14-33(24)4)13-26(2,3)27(29,30)31;1-16-7-10-21-20-12-9-19(28)14-24(20)31-27(21)25(16)26-22-11-8-18(17-5-3-4-6-17)13-23(22)29-15-30(26)2;1-16-6-9-20-19-11-8-18(28)13-23(19)31-26(20)24(16)25-21-10-7-17(14-27(2,3)4)12-22(21)29-15-30(25)5;1-13(2)15-6-8-17-20(9-15)28-12-29(4)24(17)22-14(3)5-7-18-23-19(27)10-16(26)11-21(23)30-25(18)22/h7-10,12-15,17H,3-6,11H2,1-2H3;5-12,14H,13H2,1-4H3;7-15,17H,3-6H2,1-2H3;6-13,15H,14H2,1-5H3;5-13H,1-4H3/q5*+1.

What are the key properties of 7-cyclopentyl-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium;7-(2,2-dimethylpropyl)-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium?

7-cyclopentyl-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium;7-(2,2-dimethylpropyl)-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium has a molecular weight of 2139.47 g/mol, XLogP of 33.88, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclopentyl-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium;7-(2,2-dimethylpropyl)-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium is sourced from PubChem (CID 159693364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).