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

C113H93F30N15O8 — CID 157449254

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

1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-pyrazol-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-pyrazol-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)-3,4-dihydroquinolin-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol (PubChem CID 157449254) has the molecular formula C113H93F30N15O8 and a molecular weight of 2359.02 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-pyrazol-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-pyrazol-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)-3,4-dihydroquinolin-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol.

Molecular Properties

• Compound Name: 1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-pyrazol-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-pyrazol-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)-3,4-dihydroquinolin-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol
• PubChem CID: 157449254
• Molecular Formula: C113H93F30N15O8
• Molecular Weight: 2359.02 g/mol
• Exact Mass: 2357.69
• IUPAC Name: 1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-pyrazol-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-pyrazol-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)-3,4-dihydroquinolin-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol
• SMILES: Cc1cc(-c2ccc3c(c2)CCC(=O)N3Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)n[nH]1.Cc1cc(-c2ccc3c(c2)CCCN3Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)n[nH]1.Cc1cc(-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.OC(c1ccc(CN2CCCc3cc(-c4cn[nH]c4)ccc32)cc1)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C23H19F6N3O2.C23H17F6N3O2.C23H21F6N3O.C22H17F6N3O2.C22H19F6N3O/c2*1-13-10-18(31-30-13)15-4-8-19-16(11-15)5-9-20(33)32(19)12-14-2-6-17(7-3-14)21(34,22(24,25)26)23(27,28)29;1-14-11-19(31-30-14)16-6-9-20-17(12-16)3-2-10-32(20)13-15-4-7-18(8-5-15)21(33,22(24,25)26)23(27,28)29;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;23-21(24,25)20(32,22(26,27)28)18-6-3-14(4-7-18)13-31-9-1-2-16-10-15(5-8-19(16)31)17-11-29-30-12-17/h2-4,6-8,10-11,34H,5,9,12H2,1H3,(H,30,31);2-11,34H,12H2,1H3,(H,30,31);4-9,11-12,33H,2-3,10,13H2,1H3,(H,30,31);1-3,5-7,9-11,33H,4,8,12H2,(H,29,30);3-8,10-12,32H,1-2,9,13H2,(H,29,30)
• InChIKey: BSPKEHOGSMDHOZ-UHFFFAOYSA-N
• XLogP: 26.10
• TPSA: 313.65 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2359.02
LogP ≤ 5	26.10
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

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

The IUPAC name of 1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-pyrazol-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-pyrazol-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)-3,4-dihydroquinolin-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol (CID 157449254) is 1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-pyrazol-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-pyrazol-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)-3,4-dihydroquinolin-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol.

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

The canonical SMILES for 1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-pyrazol-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-pyrazol-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)-3,4-dihydroquinolin-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol is Cc1cc(-c2ccc3c(c2)CCC(=O)N3Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)n[nH]1.Cc1cc(-c2ccc3c(c2)CCCN3Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)n[nH]1.Cc1cc(-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.OC(c1ccc(CN2CCCc3cc(-c4cn[nH]c4)ccc32)cc1)(C(F)(F)F)C(F)(F)F.

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

The InChIKey is BSPKEHOGSMDHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F6N3O2.C23H17F6N3O2.C23H21F6N3O.C22H17F6N3O2.C22H19F6N3O/c2*1-13-10-18(31-30-13)15-4-8-19-16(11-15)5-9-20(33)32(19)12-14-2-6-17(7-3-14)21(34,22(24,25)26)23(27,28)29;1-14-11-19(31-30-14)16-6-9-20-17(12-16)3-2-10-32(20)13-15-4-7-18(8-5-15)21(33,22(24,25)26)23(27,28)29;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;23-21(24,25)20(32,22(26,27)28)18-6-3-14(4-7-18)13-31-9-1-2-16-10-15(5-8-19(16)31)17-11-29-30-12-17/h2-4,6-8,10-11,34H,5,9,12H2,1H3,(H,30,31);2-11,34H,12H2,1H3,(H,30,31);4-9,11-12,33H,2-3,10,13H2,1H3,(H,30,31);1-3,5-7,9-11,33H,4,8,12H2,(H,29,30);3-8,10-12,32H,1-2,9,13H2,(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-pyrazol-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-pyrazol-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)-3,4-dihydroquinolin-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol?

1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-6-(5-methyl-1H-pyrazol-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-pyrazol-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)-3,4-dihydroquinolin-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol has a molecular weight of 2359.02 g/mol, XLogP of 26.10, 20 rotatable bonds, 10 hydrogen bond donors, and 16 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-pyrazol-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-pyrazol-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)-3,4-dihydroquinolin-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]propan-2-ol is sourced from PubChem (CID 157449254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).