6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;6-(2-hydroxypropan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-(2-hydroxypropan-2-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid

C50H44F9N5O8 — CID 159326265

IUPAC6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;6-(2-hydroxypropan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-(2-hydroxypropan-2-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid
SMILESCC(=O)c1cc(C(F)(F)F)c2nc(C(=O)O)cc(C)c2c1.Cc1cc(C(=O)NCc2ccccn2)nc2c(C(F)(F)F)cc(C(C)(C)O)cc12.Cc1cc(C(=O)O)nc2c(C(F)(F)F)cc(C(C)(C)O)cc12
InChIInChI=1S/C21H20F3N3O2.C15H14F3NO3.C14H10F3NO3/c1-12-8-17(19(28)26-11-14-6-4-5-7-25-14)27-18-15(12)9-13(20(2,3)29)10-16(18)21(22,23)24;1-7-4-11(13(20)21)19-12-9(7)5-8(14(2,3)22)6-10(12)15(16,17)18;1-6-3-11(13(20)21)18-12-9(6)4-8(7(2)19)5-10(12)14(15,16)17/h4-10,29H,11H2,1-3H3,(H,26,28);4-6,22H,1-3H3,(H,20,21);3-5H,1-2H3,(H,20,21)
InChIKeyLEKBQUXYASWJCB-UHFFFAOYSA-N
MW1013.91 g/mol
LogP11.06
Rot. Bonds8

About 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;6-(2-hydroxypropan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-(2-hydroxypropan-2-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid

6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;6-(2-hydroxypropan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-(2-hydroxypropan-2-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid (PubChem CID 159326265) has the molecular formula C50H44F9N5O8 and a molecular weight of 1013.91 g/mol. Its IUPAC name is 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;6-(2-hydroxypropan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-(2-hydroxypropan-2-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;6-(2-hydroxypropan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-(2-hydroxypropan-2-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid
PubChem CID159326265
Molecular FormulaC50H44F9N5O8
Molecular Weight1013.91 g/mol
Exact Mass1013.30
IUPAC Name6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;6-(2-hydroxypropan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-(2-hydroxypropan-2-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid
SMILESCC(=O)c1cc(C(F)(F)F)c2nc(C(=O)O)cc(C)c2c1.Cc1cc(C(=O)NCc2ccccn2)nc2c(C(F)(F)F)cc(C(C)(C)O)cc12.Cc1cc(C(=O)O)nc2c(C(F)(F)F)cc(C(C)(C)O)cc12
InChIInChI=1S/C21H20F3N3O2.C15H14F3NO3.C14H10F3NO3/c1-12-8-17(19(28)26-11-14-6-4-5-7-25-14)27-18-15(12)9-13(20(2,3)29)10-16(18)21(22,23)24;1-7-4-11(13(20)21)19-12-9(7)5-8(14(2,3)22)6-10(12)15(16,17)18;1-6-3-11(13(20)21)18-12-9(6)4-8(7(2)19)5-10(12)14(15,16)17/h4-10,29H,11H2,1-3H3,(H,26,28);4-6,22H,1-3H3,(H,20,21);3-5H,1-2H3,(H,20,21)
InChIKeyLEKBQUXYASWJCB-UHFFFAOYSA-N
XLogP11.06
TPSA212.79 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001013.91
LogP ≤ 511.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;6-(2-hydroxypropan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-(2-hydroxypropan-2-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid with MolForge

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Related Compounds

4-[[2-[4-(Aminomethyl)cyclohexanecarbonyl]-3,3-dimethyl-5-quinolin-6-yl-1,4-dihydroisoquinoline-1-carbonyl]amino]benzoic acid
CID 129012574
US10023557, Example 174
CID 124181972
US20250042857, Example B-129
CID 169683233
4'-(4-(4-Propionylpiperazin-1-yl)-3(trifluoromethyl)phenylamino)-3,6'-biquinoline-3'-carboxylic acid
CID 49783031
2-[[(2S)-1-methoxy-1-oxo-3-pyridin-4-ylpropan-2-yl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 57602148
2-[[(2S)-1-methoxy-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 57602240
N-[(1R)-1-quinolin-4-ylethyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)quinoline-6-carboxamide
CID 57908209
N-(isoquinolin-5-ylmethyl)-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)quinoline-6-carboxamide
CID 57908229
2-[[[6-Cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]methyl]pyridine-4-carboxylic acid
CID 68067048
6-(2-hydroxypropan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
CID 68067091
4-[[3-[3-Benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]-3-methylbenzoic acid
CID 68982115
2-[(1-Methoxy-1-oxo-3-pyridin-4-ylpropan-2-yl)carbamoyl]-6-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 76622920

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;6-(2-hydroxypropan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-(2-hydroxypropan-2-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid?
The IUPAC name of 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;6-(2-hydroxypropan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-(2-hydroxypropan-2-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid (CID 159326265) is 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;6-(2-hydroxypropan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-(2-hydroxypropan-2-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid.
What is the SMILES notation for 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;6-(2-hydroxypropan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-(2-hydroxypropan-2-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid?
The canonical SMILES for 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;6-(2-hydroxypropan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-(2-hydroxypropan-2-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid is CC(=O)c1cc(C(F)(F)F)c2nc(C(=O)O)cc(C)c2c1.Cc1cc(C(=O)NCc2ccccn2)nc2c(C(F)(F)F)cc(C(C)(C)O)cc12.Cc1cc(C(=O)O)nc2c(C(F)(F)F)cc(C(C)(C)O)cc12.
What is the InChIKey of 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;6-(2-hydroxypropan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-(2-hydroxypropan-2-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid?
The InChIKey is LEKBQUXYASWJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2.C15H14F3NO3.C14H10F3NO3/c1-12-8-17(19(28)26-11-14-6-4-5-7-25-14)27-18-15(12)9-13(20(2,3)29)10-16(18)21(22,23)24;1-7-4-11(13(20)21)19-12-9(7)5-8(14(2,3)22)6-10(12)15(16,17)18;1-6-3-11(13(20)21)18-12-9(6)4-8(7(2)19)5-10(12)14(15,16)17/h4-10,29H,11H2,1-3H3,(H,26,28);4-6,22H,1-3H3,(H,20,21);3-5H,1-2H3,(H,20,21).
What are the key properties of 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;6-(2-hydroxypropan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-(2-hydroxypropan-2-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid?
6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;6-(2-hydroxypropan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-(2-hydroxypropan-2-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid has a molecular weight of 1013.91 g/mol, XLogP of 11.06, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;6-(2-hydroxypropan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-(2-hydroxypropan-2-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid is sourced from PubChem (CID 159326265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).