1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-1,2,4-triazol-3-yl)-3,4-dihydroquinolin-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-1,2,4-triazol-3-yl)quinolin-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinolin-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline

C111H96F24N18O7 — CID 159703000

About 1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-1,2,4-triazol-3-yl)-3,4-dihydroquinolin-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-1,2,4-triazol-3-yl)quinolin-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinolin-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline

1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-1,2,4-triazol-3-yl)-3,4-dihydroquinolin-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-1,2,4-triazol-3-yl)quinolin-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinolin-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline (PubChem CID 159703000) has the molecular formula C111H96F24N18O7 and a molecular weight of 2250.06 g/mol. Its IUPAC name is 1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-1,2,4-triazol-3-yl)-3,4-dihydroquinolin-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-1,2,4-triazol-3-yl)quinolin-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinolin-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

• Compound Name: 1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-1,2,4-triazol-3-yl)-3,4-dihydroquinolin-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-1,2,4-triazol-3-yl)quinolin-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinolin-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline
• PubChem CID: 159703000
• Molecular Formula: C111H96F24N18O7
• Molecular Weight: 2250.06 g/mol
• Exact Mass: 2248.73
• IUPAC Name: 1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-1,2,4-triazol-3-yl)-3,4-dihydroquinolin-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-1,2,4-triazol-3-yl)quinolin-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinolin-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline
• SMILES: Cc1cc(-c2ccc3c(c2)CCCN3Cc2ccc(C(C)C)cc2)n[nH]1.Cc1nc(-c2ccc3c(c2)CCC(=O)N3Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)n[nH]1.Cc1nc(-c2ccc3c(c2)CCCN3Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)n[nH]1.Cc1nc(-c2ccc3c(ccc(=O)n3Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)c2)n[nH]1.O=c1ccc2cc(-c3cn[nH]c3)ccc2n1Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
• InChI: InChI=1S/C23H27N3.C22H18F6N4O2.C22H16F6N4O2.C22H20F6N4O.C22H15F6N3O2/c1-16(2)19-8-6-18(7-9-19)15-26-12-4-5-21-14-20(10-11-23(21)26)22-13-17(3)24-25-22;2*1-12-29-19(31-30-12)15-4-8-17-14(10-15)5-9-18(33)32(17)11-13-2-6-16(7-3-13)20(34,21(23,24)25)22(26,27)28;1-13-29-19(31-30-13)16-6-9-18-15(11-16)3-2-10-32(18)12-14-4-7-17(8-5-14)20(33,21(23,24)25)22(26,27)28;23-21(24,25)20(33,22(26,27)28)17-5-1-13(2-6-17)12-31-18-7-3-14(16-10-29-30-11-16)9-15(18)4-8-19(31)32/h6-11,13-14,16H,4-5,12,15H2,1-3H3,(H,24,25);2-4,6-8,10,34H,5,9,11H2,1H3,(H,29,30,31);2-10,34H,11H2,1H3,(H,29,30,31);4-9,11,33H,2-3,10,12H2,1H3,(H,29,30,31);1-11,33H,12H2,(H,29,30)
• InChIKey: MXWBSIWFWXXFKA-UHFFFAOYSA-N
• XLogP: 24.29
• TPSA: 333.78 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2250.06
LogP ≤ 5	24.29
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

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

The IUPAC name of 1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-1,2,4-triazol-3-yl)-3,4-dihydroquinolin-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-1,2,4-triazol-3-yl)quinolin-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinolin-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline (CID 159703000) is 1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-1,2,4-triazol-3-yl)-3,4-dihydroquinolin-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-1,2,4-triazol-3-yl)quinolin-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinolin-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline.

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

The canonical SMILES for 1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-1,2,4-triazol-3-yl)-3,4-dihydroquinolin-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-1,2,4-triazol-3-yl)quinolin-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinolin-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline is Cc1cc(-c2ccc3c(c2)CCCN3Cc2ccc(C(C)C)cc2)n[nH]1.Cc1nc(-c2ccc3c(c2)CCC(=O)N3Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)n[nH]1.Cc1nc(-c2ccc3c(c2)CCCN3Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)n[nH]1.Cc1nc(-c2ccc3c(ccc(=O)n3Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)c2)n[nH]1.O=c1ccc2cc(-c3cn[nH]c3)ccc2n1Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.

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

The InChIKey is MXWBSIWFWXXFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3.C22H18F6N4O2.C22H16F6N4O2.C22H20F6N4O.C22H15F6N3O2/c1-16(2)19-8-6-18(7-9-19)15-26-12-4-5-21-14-20(10-11-23(21)26)22-13-17(3)24-25-22;2*1-12-29-19(31-30-12)15-4-8-17-14(10-15)5-9-18(33)32(17)11-13-2-6-16(7-3-13)20(34,21(23,24)25)22(26,27)28;1-13-29-19(31-30-13)16-6-9-18-15(11-16)3-2-10-32(18)12-14-4-7-17(8-5-14)20(33,21(23,24)25)22(26,27)28;23-21(24,25)20(33,22(26,27)28)17-5-1-13(2-6-17)12-31-18-7-3-14(16-10-29-30-11-16)9-15(18)4-8-19(31)32/h6-11,13-14,16H,4-5,12,15H2,1-3H3,(H,24,25);2-4,6-8,10,34H,5,9,11H2,1H3,(H,29,30,31);2-10,34H,11H2,1H3,(H,29,30,31);4-9,11,33H,2-3,10,12H2,1H3,(H,29,30,31);1-11,33H,12H2,(H,29,30).

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

1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-1,2,4-triazol-3-yl)-3,4-dihydroquinolin-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-1,2,4-triazol-3-yl)quinolin-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinolin-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline has a molecular weight of 2250.06 g/mol, XLogP of 24.29, 20 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-1,2,4-triazol-3-yl)-3,4-dihydroquinolin-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-1,2,4-triazol-3-yl)quinolin-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinolin-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 159703000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).