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-(5-methyl-1H-1,2,4-triazol-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;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline

C112H112F18N16O3 — CID 160681688

IUPAC1,1,1,3,3,3-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-(5-methyl-1H-1,2,4-triazol-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;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline
SMILESCC(C)c1ccc(CN2CCCc3cc(-c4cn[nH]c4)ccc32)cc1.Cc1cc(-c2ccc3c(c2)CCCN3Cc2ccc(C(C)C)cc2)n[nH]1.Cc1cc(-c2ccc3c(c2)CCCN3Cc2ccc(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.OC(c1ccc(CN2CCCc3cc(-c4cn[nH]c4)ccc32)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C23H21F6N3O.C23H27N3.C22H20F6N4O.C22H19F6N3O.C22H25N3/c1-14-11-19(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;1-16(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;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(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;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/h4-9,11-12,33H,2-3,10,13H2,1H3,(H,30,31);6-11,13-14,16H,4-5,12,15H2,1-3H3,(H,24,25);4-9,11,33H,2-3,10,12H2,1H3,(H,29,30,31);3-8,10-12,32H,1-2,9,13H2,(H,29,30);5-10,12-14,16H,3-4,11,15H2,1-2H3,(H,23,24)
InChIKeyROFOXLFLTNIBHQ-UHFFFAOYSA-N
MW2072.20 g/mol
LogP26.65
Rot. Bonds20

About 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-(5-methyl-1H-1,2,4-triazol-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;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline

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-(5-methyl-1H-1,2,4-triazol-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;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline (PubChem CID 160681688) has the molecular formula C112H112F18N16O3 and a molecular weight of 2072.20 g/mol. Its IUPAC name is 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-(5-methyl-1H-1,2,4-triazol-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;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1,1,1,3,3,3-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-(5-methyl-1H-1,2,4-triazol-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;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline
PubChem CID160681688
Molecular FormulaC112H112F18N16O3
Molecular Weight2072.20 g/mol
Exact Mass2070.88
IUPAC Name1,1,1,3,3,3-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-(5-methyl-1H-1,2,4-triazol-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;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline
SMILESCC(C)c1ccc(CN2CCCc3cc(-c4cn[nH]c4)ccc32)cc1.Cc1cc(-c2ccc3c(c2)CCCN3Cc2ccc(C(C)C)cc2)n[nH]1.Cc1cc(-c2ccc3c(c2)CCCN3Cc2ccc(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.OC(c1ccc(CN2CCCc3cc(-c4cn[nH]c4)ccc32)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C23H21F6N3O.C23H27N3.C22H20F6N4O.C22H19F6N3O.C22H25N3/c1-14-11-19(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;1-16(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;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(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;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/h4-9,11-12,33H,2-3,10,13H2,1H3,(H,30,31);6-11,13-14,16H,4-5,12,15H2,1-3H3,(H,24,25);4-9,11,33H,2-3,10,12H2,1H3,(H,29,30,31);3-8,10-12,32H,1-2,9,13H2,(H,29,30);5-10,12-14,16H,3-4,11,15H2,1-2H3,(H,23,24)
InChIKeyROFOXLFLTNIBHQ-UHFFFAOYSA-N
XLogP26.65
TPSA233.18 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002072.20
LogP ≤ 526.65
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze 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-(5-methyl-1H-1,2,4-triazol-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;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-(5-methyl-1H-1,2,4-triazol-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;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 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-(5-methyl-1H-1,2,4-triazol-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;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline (CID 160681688) is 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-(5-methyl-1H-1,2,4-triazol-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;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 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-(5-methyl-1H-1,2,4-triazol-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;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 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-(5-methyl-1H-1,2,4-triazol-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;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline is CC(C)c1ccc(CN2CCCc3cc(-c4cn[nH]c4)ccc32)cc1.Cc1cc(-c2ccc3c(c2)CCCN3Cc2ccc(C(C)C)cc2)n[nH]1.Cc1cc(-c2ccc3c(c2)CCCN3Cc2ccc(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.OC(c1ccc(CN2CCCc3cc(-c4cn[nH]c4)ccc32)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 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-(5-methyl-1H-1,2,4-triazol-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;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline?
The InChIKey is ROFOXLFLTNIBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F6N3O.C23H27N3.C22H20F6N4O.C22H19F6N3O.C22H25N3/c1-14-11-19(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;1-16(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;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(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;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/h4-9,11-12,33H,2-3,10,13H2,1H3,(H,30,31);6-11,13-14,16H,4-5,12,15H2,1-3H3,(H,24,25);4-9,11,33H,2-3,10,12H2,1H3,(H,29,30,31);3-8,10-12,32H,1-2,9,13H2,(H,29,30);5-10,12-14,16H,3-4,11,15H2,1-2H3,(H,23,24).
What are the key properties of 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-(5-methyl-1H-1,2,4-triazol-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;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline?
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-(5-methyl-1H-1,2,4-triazol-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;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline has a molecular weight of 2072.20 g/mol, XLogP of 26.65, 20 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(5-methyl-1H-1,2,4-triazol-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;6-(5-methyl-1H-pyrazol-3-yl)-1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;1-[(4-propan-2-ylphenyl)methyl]-6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 160681688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).