1-[(4-tert-butylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline;4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(1H-pyrazol-4-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline

C111H119F6N17O2 — CID 160635519

About 1-[(4-tert-butylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline;4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(1H-pyrazol-4-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline

1-[(4-tert-butylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline;4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(1H-pyrazol-4-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline (PubChem CID 160635519) has the molecular formula C111H119F6N17O2 and a molecular weight of 1837.28 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline;4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(1H-pyrazol-4-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

• Compound Name: 1-[(4-tert-butylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline;4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(1H-pyrazol-4-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline
• PubChem CID: 160635519
• Molecular Formula: C111H119F6N17O2
• Molecular Weight: 1837.28 g/mol
• Exact Mass: 1835.96
• IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline;4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(1H-pyrazol-4-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline
• SMILES: CC(C)(C)c1ccc(CN2CCCc3cc(-c4cn[nH]c4)ccc32)cc1.CC(C)(c1ccc(CN2CCCc3cc(-c4cn[nH]c4)ccc32)cc1)C(F)(F)F.Cc1cc(-c2ccc3c(c2)CCCN3Cc2ccc(C(C)(C)C(F)(F)F)cc2)n[nH]1.Cc1cc(-c2ccc3c(c2)CCCN3Cc2ccc(C(N)=O)cc2)n[nH]1.NC(=O)c1ccc(CN2CCCc3cc(-c4cn[nH]c4)ccc32)cc1
• InChI: InChI=1S/C24H26F3N3.C23H24F3N3.C23H27N3.C21H22N4O.C20H20N4O/c1-16-13-21(29-28-16)18-8-11-22-19(14-18)5-4-12-30(22)15-17-6-9-20(10-7-17)23(2,3)24(25,26)27;1-22(2,23(24,25)26)20-8-5-16(6-9-20)15-29-11-3-4-18-12-17(7-10-21(18)29)19-13-27-28-14-19;1-23(2,3)21-9-6-17(7-10-21)16-26-12-4-5-19-13-18(8-11-22(19)26)20-14-24-25-15-20;1-14-11-19(24-23-14)17-8-9-20-18(12-17)3-2-10-25(20)13-15-4-6-16(7-5-15)21(22)26;21-20(25)15-5-3-14(4-6-15)13-24-9-1-2-17-10-16(7-8-19(17)24)18-11-22-23-12-18/h6-11,13-14H,4-5,12,15H2,1-3H3,(H,28,29);5-10,12-14H,3-4,11,15H2,1-2H3,(H,27,28);6-11,13-15H,4-5,12,16H2,1-3H3,(H,24,25);4-9,11-12H,2-3,10,13H2,1H3,(H2,22,26)(H,23,24);3-8,10-12H,1-2,9,13H2,(H2,21,25)(H,22,23)
• InChIKey: RIMJQVLNRZXLBG-UHFFFAOYSA-N
• XLogP: 23.94
• TPSA: 245.78 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1837.28
LogP ≤ 5	23.94
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline;4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(1H-pyrazol-4-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline?

The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline;4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(1H-pyrazol-4-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline (CID 160635519) is 1-[(4-tert-butylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline;4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(1H-pyrazol-4-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline.

What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline;4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(1H-pyrazol-4-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline?

The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline;4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(1H-pyrazol-4-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline is CC(C)(C)c1ccc(CN2CCCc3cc(-c4cn[nH]c4)ccc32)cc1.CC(C)(c1ccc(CN2CCCc3cc(-c4cn[nH]c4)ccc32)cc1)C(F)(F)F.Cc1cc(-c2ccc3c(c2)CCCN3Cc2ccc(C(C)(C)C(F)(F)F)cc2)n[nH]1.Cc1cc(-c2ccc3c(c2)CCCN3Cc2ccc(C(N)=O)cc2)n[nH]1.NC(=O)c1ccc(CN2CCCc3cc(-c4cn[nH]c4)ccc32)cc1.

What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline;4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(1H-pyrazol-4-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline?

The InChIKey is RIMJQVLNRZXLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3.C23H24F3N3.C23H27N3.C21H22N4O.C20H20N4O/c1-16-13-21(29-28-16)18-8-11-22-19(14-18)5-4-12-30(22)15-17-6-9-20(10-7-17)23(2,3)24(25,26)27;1-22(2,23(24,25)26)20-8-5-16(6-9-20)15-29-11-3-4-18-12-17(7-10-21(18)29)19-13-27-28-14-19;1-23(2,3)21-9-6-17(7-10-21)16-26-12-4-5-19-13-18(8-11-22(19)26)20-14-24-25-15-20;1-14-11-19(24-23-14)17-8-9-20-18(12-17)3-2-10-25(20)13-15-4-6-16(7-5-15)21(22)26;21-20(25)15-5-3-14(4-6-15)13-24-9-1-2-17-10-16(7-8-19(17)24)18-11-22-23-12-18/h6-11,13-14H,4-5,12,15H2,1-3H3,(H,28,29);5-10,12-14H,3-4,11,15H2,1-2H3,(H,27,28);6-11,13-15H,4-5,12,16H2,1-3H3,(H,24,25);4-9,11-12H,2-3,10,13H2,1H3,(H2,22,26)(H,23,24);3-8,10-12H,1-2,9,13H2,(H2,21,25)(H,22,23).

What are the key properties of 1-[(4-tert-butylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline;4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(1H-pyrazol-4-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline?

1-[(4-tert-butylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline;4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(1H-pyrazol-4-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline has a molecular weight of 1837.28 g/mol, XLogP of 23.94, 19 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-tert-butylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(5-methyl-1H-pyrazol-3-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline;4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide;6-(1H-pyrazol-4-yl)-1-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 160635519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).