2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;methane;6-methyl-8-propan-2-ylquinoline;8-oxido-10-propan-2-yl-2-oxa-8-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;3-propan-2-ylquinoline;8-propan-2-ylquinoline;8-propan-2-yl-5-(trifluoromethyl)quinoline

C132H155F4N9O5 — CID 159141211

About 2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;methane;6-methyl-8-propan-2-ylquinoline;8-oxido-10-propan-2-yl-2-oxa-8-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;3-propan-2-ylquinoline;8-propan-2-ylquinoline;8-propan-2-yl-5-(trifluoromethyl)quinoline

2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;methane;6-methyl-8-propan-2-ylquinoline;8-oxido-10-propan-2-yl-2-oxa-8-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;3-propan-2-ylquinoline;8-propan-2-ylquinoline;8-propan-2-yl-5-(trifluoromethyl)quinoline (PubChem CID 159141211) has the molecular formula C132H155F4N9O5 and a molecular weight of 2023.74 g/mol. Its IUPAC name is 2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;methane;6-methyl-8-propan-2-ylquinoline;8-oxido-10-propan-2-yl-2-oxa-8-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;3-propan-2-ylquinoline;8-propan-2-ylquinoline;8-propan-2-yl-5-(trifluoromethyl)quinoline.

Molecular Properties

• Compound Name: 2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;methane;6-methyl-8-propan-2-ylquinoline;8-oxido-10-propan-2-yl-2-oxa-8-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;3-propan-2-ylquinoline;8-propan-2-ylquinoline;8-propan-2-yl-5-(trifluoromethyl)quinoline
• PubChem CID: 159141211
• Molecular Formula: C132H155F4N9O5
• Molecular Weight: 2023.74 g/mol
• Exact Mass: 2022.21
• IUPAC Name: 2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;methane;6-methyl-8-propan-2-ylquinoline;8-oxido-10-propan-2-yl-2-oxa-8-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;3-propan-2-ylquinoline;8-propan-2-ylquinoline;8-propan-2-yl-5-(trifluoromethyl)quinoline
• SMILES: C.C.CC(C)c1ccc(C(F)(F)F)c2cccnc12.CC(C)c1ccc(F)c2cccnc12.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c3c(cc[n+]([O-])c13)CCO2.CC(C)c1ccc2c3c(ccnc13)CCO2.CC(C)c1ccc2c3c1NCCC3CCO2.CC(C)c1cccc2cccnc12.CC(C)c1cnc2ccccc2c1.Cc1cc(C(C)C)c2ncccc2c1.Cc1ccc2ccc(C)c(C(C)C)c2n1
• InChI: InChI=1S/C14H15NO2.C14H19NO.C14H15NO.C14H17N.C13H12F3N.C13H15N.C12H12FN.2C12H13N.C12H16O.2CH4/c1-9(2)11-3-4-12-13-10(6-8-17-12)5-7-15(16)14(11)13;2*1-9(2)11-3-4-12-13-10(6-8-16-12)5-7-15-14(11)13;1-9(2)13-10(3)5-7-12-8-6-11(4)15-14(12)13;1-8(2)9-5-6-11(13(14,15)16)10-4-3-7-17-12(9)10;1-9(2)12-8-10(3)7-11-5-4-6-14-13(11)12;1-8(2)9-5-6-11(13)10-4-3-7-14-12(9)10;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;;/h3-5,7,9H,6,8H2,1-2H3;3-4,9-10,15H,5-8H2,1-2H3;3-5,7,9H,6,8H2,1-2H3;5-9H,1-4H3;3-8H,1-2H3;4-9H,1-3H3;3-8H,1-2H3;2*3-9H,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;2*1H4
• InChIKey: KICPUSSGASFHPT-UHFFFAOYSA-N
• XLogP: 35.96
• TPSA: 166.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2023.74
LogP ≤ 5	35.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;methane;6-methyl-8-propan-2-ylquinoline;8-oxido-10-propan-2-yl-2-oxa-8-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;3-propan-2-ylquinoline;8-propan-2-ylquinoline;8-propan-2-yl-5-(trifluoromethyl)quinoline?

The IUPAC name of 2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;methane;6-methyl-8-propan-2-ylquinoline;8-oxido-10-propan-2-yl-2-oxa-8-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;3-propan-2-ylquinoline;8-propan-2-ylquinoline;8-propan-2-yl-5-(trifluoromethyl)quinoline (CID 159141211) is 2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;methane;6-methyl-8-propan-2-ylquinoline;8-oxido-10-propan-2-yl-2-oxa-8-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;3-propan-2-ylquinoline;8-propan-2-ylquinoline;8-propan-2-yl-5-(trifluoromethyl)quinoline.

What is the SMILES notation for 2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;methane;6-methyl-8-propan-2-ylquinoline;8-oxido-10-propan-2-yl-2-oxa-8-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;3-propan-2-ylquinoline;8-propan-2-ylquinoline;8-propan-2-yl-5-(trifluoromethyl)quinoline?

The canonical SMILES for 2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;methane;6-methyl-8-propan-2-ylquinoline;8-oxido-10-propan-2-yl-2-oxa-8-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;3-propan-2-ylquinoline;8-propan-2-ylquinoline;8-propan-2-yl-5-(trifluoromethyl)quinoline is C.C.CC(C)c1ccc(C(F)(F)F)c2cccnc12.CC(C)c1ccc(F)c2cccnc12.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c3c(cc[n+]([O-])c13)CCO2.CC(C)c1ccc2c3c(ccnc13)CCO2.CC(C)c1ccc2c3c1NCCC3CCO2.CC(C)c1cccc2cccnc12.CC(C)c1cnc2ccccc2c1.Cc1cc(C(C)C)c2ncccc2c1.Cc1ccc2ccc(C)c(C(C)C)c2n1.

What is the InChIKey of 2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;methane;6-methyl-8-propan-2-ylquinoline;8-oxido-10-propan-2-yl-2-oxa-8-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;3-propan-2-ylquinoline;8-propan-2-ylquinoline;8-propan-2-yl-5-(trifluoromethyl)quinoline?

The InChIKey is KICPUSSGASFHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2.C14H19NO.C14H15NO.C14H17N.C13H12F3N.C13H15N.C12H12FN.2C12H13N.C12H16O.2CH4/c1-9(2)11-3-4-12-13-10(6-8-17-12)5-7-15(16)14(11)13;2*1-9(2)11-3-4-12-13-10(6-8-16-12)5-7-15-14(11)13;1-9(2)13-10(3)5-7-12-8-6-11(4)15-14(12)13;1-8(2)9-5-6-11(13(14,15)16)10-4-3-7-17-12(9)10;1-9(2)12-8-10(3)7-11-5-4-6-14-13(11)12;1-8(2)9-5-6-11(13)10-4-3-7-14-12(9)10;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;;/h3-5,7,9H,6,8H2,1-2H3;3-4,9-10,15H,5-8H2,1-2H3;3-5,7,9H,6,8H2,1-2H3;5-9H,1-4H3;3-8H,1-2H3;4-9H,1-3H3;3-8H,1-2H3;2*3-9H,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;2*1H4.

What are the key properties of 2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;methane;6-methyl-8-propan-2-ylquinoline;8-oxido-10-propan-2-yl-2-oxa-8-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;3-propan-2-ylquinoline;8-propan-2-ylquinoline;8-propan-2-yl-5-(trifluoromethyl)quinoline?

2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;methane;6-methyl-8-propan-2-ylquinoline;8-oxido-10-propan-2-yl-2-oxa-8-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;3-propan-2-ylquinoline;8-propan-2-ylquinoline;8-propan-2-yl-5-(trifluoromethyl)quinoline has a molecular weight of 2023.74 g/mol, XLogP of 35.96, 10 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;methane;6-methyl-8-propan-2-ylquinoline;8-oxido-10-propan-2-yl-2-oxa-8-azoniatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;6-propan-2-yl-3,4-dihydro-2H-chromene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;3-propan-2-ylquinoline;8-propan-2-ylquinoline;8-propan-2-yl-5-(trifluoromethyl)quinoline is sourced from PubChem (CID 159141211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).