2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;methane;8-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;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;tris(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;bis(8-propan-2-ylquinoline);bis(8-propan-2-yl-5-(trifluoromethyl)quinoline)

C201H235F7N14O8 — CID 162173450

About 2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;methane;8-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;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;tris(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;bis(8-propan-2-ylquinoline);bis(8-propan-2-yl-5-(trifluoromethyl)quinoline)

2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;methane;8-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;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;tris(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;bis(8-propan-2-ylquinoline);bis(8-propan-2-yl-5-(trifluoromethyl)quinoline) (PubChem CID 162173450) has the molecular formula C201H235F7N14O8 and a molecular weight of 3108.17 g/mol. Its IUPAC name is 2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;methane;8-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;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;tris(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;bis(8-propan-2-ylquinoline);bis(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;8-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;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;tris(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;bis(8-propan-2-ylquinoline);bis(8-propan-2-yl-5-(trifluoromethyl)quinoline)
• PubChem CID: 162173450
• Molecular Formula: C201H235F7N14O8
• Molecular Weight: 3108.17 g/mol
• Exact Mass: 3105.83
• IUPAC Name: 2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;methane;8-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;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;tris(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;bis(8-propan-2-ylquinoline);bis(8-propan-2-yl-5-(trifluoromethyl)quinoline)
• SMILES: C.C.C.CC(C)c1ccc(C(F)(F)F)c2cccnc12.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)c1ccc2c3c(ccnc13)CCO2.CC(C)c1ccc2c3c(ccnc13)CCO2.CC(C)c1ccc2c3c1N(C)CCC3CCO2.CC(C)c1ccc2c3c1NCCC3CCO2.CC(C)c1cccc2cccnc12.CC(C)c1cccc2cccnc12.CC(C)c1cnc2ccccc2c1.Cc1cc(C(C)C)c2ncccc2c1.Cc1ccc2ccc(C)c(C(C)C)c2n1
• InChI: InChI=1S/C15H21NO.C14H15NO2.C14H19NO.3C14H15NO.C14H17N.2C13H12F3N.C13H15N.C12H12FN.3C12H13N.C12H16O.3CH4/c1-10(2)12-4-5-13-14-11(7-9-17-13)6-8-16(3)15(12)14;1-9(2)11-3-4-12-13-10(6-8-17-12)5-7-15(16)14(11)13;4*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;2*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;2*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;;;/h4-5,10-11H,6-9H2,1-3H3;3-5,7,9H,6,8H2,1-2H3;3-4,9-10,15H,5-8H2,1-2H3;3*3-5,7,9H,6,8H2,1-2H3;5-9H,1-4H3;2*3-8H,1-2H3;4-9H,1-3H3;3-8H,1-2H3;3*3-9H,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;3*1H4
• InChIKey: ZOBXQCYGAJLHIE-UHFFFAOYSA-N
• XLogP: 54.43
• TPSA: 248.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3108.17
LogP ≤ 5	54.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

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;8-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;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;tris(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;bis(8-propan-2-ylquinoline);bis(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;8-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;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;tris(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;bis(8-propan-2-ylquinoline);bis(8-propan-2-yl-5-(trifluoromethyl)quinoline) (CID 162173450) is 2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;methane;8-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;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;tris(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;bis(8-propan-2-ylquinoline);bis(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;8-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;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;tris(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;bis(8-propan-2-ylquinoline);bis(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;8-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;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;tris(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;bis(8-propan-2-ylquinoline);bis(8-propan-2-yl-5-(trifluoromethyl)quinoline) is C.C.C.CC(C)c1ccc(C(F)(F)F)c2cccnc12.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)c1ccc2c3c(ccnc13)CCO2.CC(C)c1ccc2c3c(ccnc13)CCO2.CC(C)c1ccc2c3c1N(C)CCC3CCO2.CC(C)c1ccc2c3c1NCCC3CCO2.CC(C)c1cccc2cccnc12.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;8-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;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;tris(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;bis(8-propan-2-ylquinoline);bis(8-propan-2-yl-5-(trifluoromethyl)quinoline)?

The InChIKey is ZOBXQCYGAJLHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.C14H15NO2.C14H19NO.3C14H15NO.C14H17N.2C13H12F3N.C13H15N.C12H12FN.3C12H13N.C12H16O.3CH4/c1-10(2)12-4-5-13-14-11(7-9-17-13)6-8-16(3)15(12)14;1-9(2)11-3-4-12-13-10(6-8-17-12)5-7-15(16)14(11)13;4*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;2*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;2*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;;;/h4-5,10-11H,6-9H2,1-3H3;3-5,7,9H,6,8H2,1-2H3;3-4,9-10,15H,5-8H2,1-2H3;3*3-5,7,9H,6,8H2,1-2H3;5-9H,1-4H3;2*3-8H,1-2H3;4-9H,1-3H3;3-8H,1-2H3;3*3-9H,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;3*1H4.

What are the key properties of 2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;methane;8-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;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;tris(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;bis(8-propan-2-ylquinoline);bis(8-propan-2-yl-5-(trifluoromethyl)quinoline)?

2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;methane;8-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;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;tris(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;bis(8-propan-2-ylquinoline);bis(8-propan-2-yl-5-(trifluoromethyl)quinoline) has a molecular weight of 3108.17 g/mol, XLogP of 54.43, 15 rotatable bonds, 1 hydrogen bond donors, and 21 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;8-methyl-10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene;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;tris(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;bis(8-propan-2-ylquinoline);bis(8-propan-2-yl-5-(trifluoromethyl)quinoline) is sourced from PubChem (CID 162173450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).