ethanol;6-ethenyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-propan-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-prop-1-en-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide

C86H84F12N12O6 — CID 157121995

IUPACethanol;6-ethenyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-propan-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-prop-1-en-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
SMILESC=C(C)c1cc(C(F)(F)F)c2nc(C(=O)NCc3ccccn3)cc(C)c2c1.C=Cc1cc(C(F)(F)F)c2nc(C(=O)NCc3ccccn3)cc(C)c2c1.CCO.CCO.CCc1cc(C(F)(F)F)c2nc(C(=O)NCc3ccccn3)cc(C)c2c1.Cc1cc(C(=O)NCc2ccccn2)nc2c(C(F)(F)F)cc(C(C)C)cc12
InChIInChI=1S/C21H20F3N3O.C21H18F3N3O.C20H18F3N3O.C20H16F3N3O.2C2H6O/c2*1-12(2)14-9-16-13(3)8-18(27-19(16)17(10-14)21(22,23)24)20(28)26-11-15-6-4-5-7-25-15;2*1-3-13-9-15-12(2)8-17(26-18(15)16(10-13)20(21,22)23)19(27)25-11-14-6-4-5-7-24-14;2*1-2-3/h4-10,12H,11H2,1-3H3,(H,26,28);4-10H,1,11H2,2-3H3,(H,26,28);4-10H,3,11H2,1-2H3,(H,25,27);3-10H,1,11H2,2H3,(H,25,27);2*3H,2H2,1H3
InChIKeyAIBQJGKWMQUTCD-UHFFFAOYSA-N
MW1609.67 g/mol
LogP18.91
Rot. Bonds16

About ethanol;6-ethenyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-propan-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-prop-1-en-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide

ethanol;6-ethenyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-propan-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-prop-1-en-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide (PubChem CID 157121995) has the molecular formula C86H84F12N12O6 and a molecular weight of 1609.67 g/mol. Its IUPAC name is ethanol;6-ethenyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-propan-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-prop-1-en-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Nameethanol;6-ethenyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-propan-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-prop-1-en-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
PubChem CID157121995
Molecular FormulaC86H84F12N12O6
Molecular Weight1609.67 g/mol
Exact Mass1608.64
IUPAC Nameethanol;6-ethenyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-propan-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-prop-1-en-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
SMILESC=C(C)c1cc(C(F)(F)F)c2nc(C(=O)NCc3ccccn3)cc(C)c2c1.C=Cc1cc(C(F)(F)F)c2nc(C(=O)NCc3ccccn3)cc(C)c2c1.CCO.CCO.CCc1cc(C(F)(F)F)c2nc(C(=O)NCc3ccccn3)cc(C)c2c1.Cc1cc(C(=O)NCc2ccccn2)nc2c(C(F)(F)F)cc(C(C)C)cc12
InChIInChI=1S/C21H20F3N3O.C21H18F3N3O.C20H18F3N3O.C20H16F3N3O.2C2H6O/c2*1-12(2)14-9-16-13(3)8-18(27-19(16)17(10-14)21(22,23)24)20(28)26-11-15-6-4-5-7-25-15;2*1-3-13-9-15-12(2)8-17(26-18(15)16(10-13)20(21,22)23)19(27)25-11-14-6-4-5-7-24-14;2*1-2-3/h4-10,12H,11H2,1-3H3,(H,26,28);4-10H,1,11H2,2-3H3,(H,26,28);4-10H,3,11H2,1-2H3,(H,25,27);3-10H,1,11H2,2H3,(H,25,27);2*3H,2H2,1H3
InChIKeyAIBQJGKWMQUTCD-UHFFFAOYSA-N
XLogP18.91
TPSA259.98 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001609.67
LogP ≤ 518.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze ethanol;6-ethenyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-propan-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-prop-1-en-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide with MolForge

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Related Compounds

N-(1-Methylpiperidin-4-yl)-4'-(2-oxo-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-1(2H)-yl)-2'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxamide
CID 53308041
Cathepsin Inhibitor, Column 4 Row 1
CID 71463531
Cathepsin Inhibitor, Column 4 Row 2
CID 71463532
Cathepsin Inhibitor, Column 5 Row 1
CID 71463534
Cathepsin Inhibitor, Column 5 Row 2
CID 71463535
Cathepsin Inhibitor, Column 5 Row 3
CID 71463536
N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-2-carboxamide
CID 71462679
4-[4-[4-[2-(4-Methylpiperazin-1-yl)acetyl]piperazin-1-yl]-3-(trifluoromethyl)anilino]-6-quinolin-3-ylquinoline-3-carboxamide
CID 127035909
US10023557, Example 172
CID 124182577
US9920032, Example 100
CID 126739109
Cathepsin Inhibitor, Column 4 Row 3
CID 71463533
N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(E)-2-(8-propan-2-ylquinolin-3-yl)ethenyl]benzamide
CID 168280243

Frequently Asked Questions

What is the IUPAC name of ethanol;6-ethenyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-propan-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-prop-1-en-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide?
The IUPAC name of ethanol;6-ethenyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-propan-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-prop-1-en-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide (CID 157121995) is ethanol;6-ethenyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-propan-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-prop-1-en-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide.
What is the SMILES notation for ethanol;6-ethenyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-propan-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-prop-1-en-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide?
The canonical SMILES for ethanol;6-ethenyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-propan-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-prop-1-en-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide is C=C(C)c1cc(C(F)(F)F)c2nc(C(=O)NCc3ccccn3)cc(C)c2c1.C=Cc1cc(C(F)(F)F)c2nc(C(=O)NCc3ccccn3)cc(C)c2c1.CCO.CCO.CCc1cc(C(F)(F)F)c2nc(C(=O)NCc3ccccn3)cc(C)c2c1.Cc1cc(C(=O)NCc2ccccn2)nc2c(C(F)(F)F)cc(C(C)C)cc12.
What is the InChIKey of ethanol;6-ethenyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-propan-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-prop-1-en-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide?
The InChIKey is AIBQJGKWMQUTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O.C21H18F3N3O.C20H18F3N3O.C20H16F3N3O.2C2H6O/c2*1-12(2)14-9-16-13(3)8-18(27-19(16)17(10-14)21(22,23)24)20(28)26-11-15-6-4-5-7-25-15;2*1-3-13-9-15-12(2)8-17(26-18(15)16(10-13)20(21,22)23)19(27)25-11-14-6-4-5-7-24-14;2*1-2-3/h4-10,12H,11H2,1-3H3,(H,26,28);4-10H,1,11H2,2-3H3,(H,26,28);4-10H,3,11H2,1-2H3,(H,25,27);3-10H,1,11H2,2H3,(H,25,27);2*3H,2H2,1H3.
What are the key properties of ethanol;6-ethenyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-propan-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-prop-1-en-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide?
ethanol;6-ethenyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-propan-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-prop-1-en-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide has a molecular weight of 1609.67 g/mol, XLogP of 18.91, 16 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;6-ethenyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-propan-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-prop-1-en-2-yl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide is sourced from PubChem (CID 157121995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).