7-cyclopentyl-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium

C135H118F13N10O5+5 — CID 161079526

About 7-cyclopentyl-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium

7-cyclopentyl-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium (PubChem CID 161079526) has the molecular formula C135H118F13N10O5+5 and a molecular weight of 2207.47 g/mol. Its IUPAC name is 7-cyclopentyl-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium.

Molecular Properties

• Compound Name: 7-cyclopentyl-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium
• PubChem CID: 161079526
• Molecular Formula: C135H118F13N10O5+5
• Molecular Weight: 2207.47 g/mol
• Exact Mass: 2205.91
• IUPAC Name: 7-cyclopentyl-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium
• SMILES: Cc1cc(F)c2c(oc3cc(F)ccc32)c1-c1c2ccc(C(C)C)cc2nc[n+]1C.Cc1cc(F)c2c(oc3cc(F)ccc32)c1-c1c2ccc(C3CCCC3)cc2nc[n+]1C.Cc1cc(F)c2c(oc3cc(F)ccc32)c1-c1c2ccc(CC(C)(C)C)cc2nc[n+]1C.Cc1cc(F)c2c(oc3cc(F)ccc32)c1-c1c2ccc(CC3CCCC3)cc2nc[n+]1C.Cc1cc2c(oc3cc(F)cc(F)c32)c(-c2c3ccc(CC(C)(C)C(F)(F)F)cc3nc[n+]2C)c1C
• InChI: InChI=1S/C28H24F5N2O.C28H25F2N2O.C27H23F2N2O.C27H25F2N2O.C25H21F2N2O/c1-14-8-19-24-20(30)10-17(29)11-22(24)36-26(19)23(15(14)2)25-18-7-6-16(9-21(18)34-13-35(25)5)12-27(3,4)28(31,32)33;1-16-11-22(30)26-21-10-8-19(29)14-24(21)33-28(26)25(16)27-20-9-7-18(12-17-5-3-4-6-17)13-23(20)31-15-32(27)2;1-15-11-21(29)25-20-10-8-18(28)13-23(20)32-27(25)24(15)26-19-9-7-17(16-5-3-4-6-16)12-22(19)30-14-31(26)2;1-15-10-20(29)24-19-9-7-17(28)12-22(19)32-26(24)23(15)25-18-8-6-16(13-27(2,3)4)11-21(18)30-14-31(25)5;1-13(2)15-5-7-17-20(10-15)28-12-29(4)24(17)22-14(3)9-19(27)23-18-8-6-16(26)11-21(18)30-25(22)23/h6-11,13H,12H2,1-5H3;7-11,13-15,17H,3-6,12H2,1-2H3;7-14,16H,3-6H2,1-2H3;6-12,14H,13H2,1-5H3;5-13H,1-4H3/q5*+1
• InChIKey: OKKJPFAVZSDKKE-UHFFFAOYSA-N
• XLogP: 34.60
• TPSA: 149.55 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2207.47
LogP ≤ 5	34.60
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-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium?

The IUPAC name of 7-cyclopentyl-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium (CID 161079526) is 7-cyclopentyl-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium.

What is the SMILES notation for 7-cyclopentyl-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium?

The canonical SMILES for 7-cyclopentyl-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium is Cc1cc(F)c2c(oc3cc(F)ccc32)c1-c1c2ccc(C(C)C)cc2nc[n+]1C.Cc1cc(F)c2c(oc3cc(F)ccc32)c1-c1c2ccc(C3CCCC3)cc2nc[n+]1C.Cc1cc(F)c2c(oc3cc(F)ccc32)c1-c1c2ccc(CC(C)(C)C)cc2nc[n+]1C.Cc1cc(F)c2c(oc3cc(F)ccc32)c1-c1c2ccc(CC3CCCC3)cc2nc[n+]1C.Cc1cc2c(oc3cc(F)cc(F)c32)c(-c2c3ccc(CC(C)(C)C(F)(F)F)cc3nc[n+]2C)c1C.

What is the InChIKey of 7-cyclopentyl-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium?

The InChIKey is OKKJPFAVZSDKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F5N2O.C28H25F2N2O.C27H23F2N2O.C27H25F2N2O.C25H21F2N2O/c1-14-8-19-24-20(30)10-17(29)11-22(24)36-26(19)23(15(14)2)25-18-7-6-16(9-21(18)34-13-35(25)5)12-27(3,4)28(31,32)33;1-16-11-22(30)26-21-10-8-19(29)14-24(21)33-28(26)25(16)27-20-9-7-18(12-17-5-3-4-6-17)13-23(20)31-15-32(27)2;1-15-11-21(29)25-20-10-8-18(28)13-23(20)32-27(25)24(15)26-19-9-7-17(16-5-3-4-6-16)12-22(19)30-14-31(26)2;1-15-10-20(29)24-19-9-7-17(28)12-22(19)32-26(24)23(15)25-18-8-6-16(13-27(2,3)4)11-21(18)30-14-31(25)5;1-13(2)15-5-7-17-20(10-15)28-12-29(4)24(17)22-14(3)9-19(27)23-18-8-6-16(26)11-21(18)30-25(22)23/h6-11,13H,12H2,1-5H3;7-11,13-15,17H,3-6,12H2,1-2H3;7-14,16H,3-6H2,1-2H3;6-12,14H,13H2,1-5H3;5-13H,1-4H3/q5*+1.

What are the key properties of 7-cyclopentyl-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium?

7-cyclopentyl-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium has a molecular weight of 2207.47 g/mol, XLogP of 34.60, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclopentyl-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium is sourced from PubChem (CID 161079526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).