1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;1-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(1H-pyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline

C110H115F6N15O2 — CID 160953851

About 1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;1-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(1H-pyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline

1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;1-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(1H-pyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline (PubChem CID 160953851) has the molecular formula C110H115F6N15O2 and a molecular weight of 1793.22 g/mol. Its IUPAC name is 1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;1-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(1H-pyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

• Compound Name: 1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;1-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(1H-pyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline
• PubChem CID: 160953851
• Molecular Formula: C110H115F6N15O2
• Molecular Weight: 1793.22 g/mol
• Exact Mass: 1791.93
• IUPAC Name: 1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;1-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(1H-pyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline
• SMILES: CC(C)c1ccc(CN2CCCc3cc(-c4cn[nH]c4)ccc32)cc1.Cc1cc(-c2ccc3c(c2)CCCN3Cc2ccc(C(F)(F)F)cc2)n[nH]1.Cc1cc(-c2ccc3c(c2)CCCN3Cc2ccc(C3(O)CCC3)cc2)n[nH]1.FC(F)(F)c1ccc(CN2CCCc3cc(-c4cn[nH]c4)ccc32)cc1.OC1(c2ccc(CN3CCCc4cc(-c5cn[nH]c5)ccc43)cc2)CCC1
• InChI: InChI=1S/C24H27N3O.C23H25N3O.C22H25N3.C21H20F3N3.C20H18F3N3/c1-17-14-22(26-25-17)19-7-10-23-20(15-19)4-2-13-27(23)16-18-5-8-21(9-6-18)24(28)11-3-12-24;27-23(10-2-11-23)21-7-4-17(5-8-21)16-26-12-1-3-19-13-18(6-9-22(19)26)20-14-24-25-15-20;1-16(2)18-7-5-17(6-8-18)15-25-11-3-4-20-12-19(9-10-22(20)25)21-13-23-24-14-21;1-14-11-19(26-25-14)16-6-9-20-17(12-16)3-2-10-27(20)13-15-4-7-18(8-5-15)21(22,23)24;21-20(22,23)18-6-3-14(4-7-18)13-26-9-1-2-16-10-15(5-8-19(16)26)17-11-24-25-12-17/h5-10,14-15,28H,2-4,11-13,16H2,1H3,(H,25,26);4-9,13-15,27H,1-3,10-12,16H2,(H,24,25);5-10,12-14,16H,3-4,11,15H2,1-2H3,(H,23,24);4-9,11-12H,2-3,10,13H2,1H3,(H,25,26);3-8,10-12H,1-2,9,13H2,(H,24,25)
• InChIKey: SWCSKCLHNLXGJP-UHFFFAOYSA-N
• XLogP: 24.67
• TPSA: 200.06 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1793.22
LogP ≤ 5	24.67
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;1-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(1H-pyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline?

The IUPAC name of 1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;1-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(1H-pyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline (CID 160953851) is 1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;1-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(1H-pyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline.

What is the SMILES notation for 1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;1-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(1H-pyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline?

The canonical SMILES for 1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;1-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(1H-pyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline is CC(C)c1ccc(CN2CCCc3cc(-c4cn[nH]c4)ccc32)cc1.Cc1cc(-c2ccc3c(c2)CCCN3Cc2ccc(C(F)(F)F)cc2)n[nH]1.Cc1cc(-c2ccc3c(c2)CCCN3Cc2ccc(C3(O)CCC3)cc2)n[nH]1.FC(F)(F)c1ccc(CN2CCCc3cc(-c4cn[nH]c4)ccc32)cc1.OC1(c2ccc(CN3CCCc4cc(-c5cn[nH]c5)ccc43)cc2)CCC1.

What is the InChIKey of 1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;1-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(1H-pyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline?

The InChIKey is SWCSKCLHNLXGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O.C23H25N3O.C22H25N3.C21H20F3N3.C20H18F3N3/c1-17-14-22(26-25-17)19-7-10-23-20(15-19)4-2-13-27(23)16-18-5-8-21(9-6-18)24(28)11-3-12-24;27-23(10-2-11-23)21-7-4-17(5-8-21)16-26-12-1-3-19-13-18(6-9-22(19)26)20-14-24-25-15-20;1-16(2)18-7-5-17(6-8-18)15-25-11-3-4-20-12-19(9-10-22(20)25)21-13-23-24-14-21;1-14-11-19(26-25-14)16-6-9-20-17(12-16)3-2-10-27(20)13-15-4-7-18(8-5-15)21(22,23)24;21-20(22,23)18-6-3-14(4-7-18)13-26-9-1-2-16-10-15(5-8-19(16)26)17-11-24-25-12-17/h5-10,14-15,28H,2-4,11-13,16H2,1H3,(H,25,26);4-9,13-15,27H,1-3,10-12,16H2,(H,24,25);5-10,12-14,16H,3-4,11,15H2,1-2H3,(H,23,24);4-9,11-12H,2-3,10,13H2,1H3,(H,25,26);3-8,10-12H,1-2,9,13H2,(H,24,25).

What are the key properties of 1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;1-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(1H-pyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline?

1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;1-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(1H-pyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline has a molecular weight of 1793.22 g/mol, XLogP of 24.67, 18 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;1-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]cyclobutan-1-ol;6-(1H-pyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 160953851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).