1-[4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide

C86H82F16N16O9 — CID 158519947

IUPAC1-[4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
SMILESCC(=O)c1cc(-c2cnc(C)o2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.CC(=O)c1cc(-c2cnn(C3CC3)c2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.CC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2cnn(CC(F)(F)F)c2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1
InChIInChI=1S/C23H23F3N4O2.C21H19F6N5O2.C21H20F4N4O2.C21H20F3N3O3/c1-14(31)20-9-19(16-10-27-30(12-16)17-3-4-17)18-5-2-15(8-21(18)28-20)11-29-6-7-32-22(13-29)23(24,25)26;22-20(23,24)11-32-9-13(7-29-32)15-6-17(19(28)33)30-16-5-12(1-2-14(15)16)8-31-3-4-34-18(10-31)21(25,26)27;1-13(30)18-7-17(15-8-26-29(10-15)12-22)16-3-2-14(6-19(16)27-18)9-28-4-5-31-20(11-28)21(23,24)25;1-12(28)17-8-16(19-9-25-13(2)30-19)15-4-3-14(7-18(15)26-17)10-27-5-6-29-20(11-27)21(22,23)24/h2,5,8-10,12,17,22H,3-4,6-7,11,13H2,1H3;1-2,5-7,9,18H,3-4,8,10-11H2,(H2,28,33);2-3,6-8,10,20H,4-5,9,11-12H2,1H3;3-4,7-9,20H,5-6,10-11H2,1-2H3
InChIKeyHMCCELRMHPNFLL-UHFFFAOYSA-N
MW1787.67 g/mol
LogP16.08
Rot. Bonds19

About 1-[4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide

1-[4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (PubChem CID 158519947) has the molecular formula C86H82F16N16O9 and a molecular weight of 1787.67 g/mol. Its IUPAC name is 1-[4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name1-[4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
PubChem CID158519947
Molecular FormulaC86H82F16N16O9
Molecular Weight1787.67 g/mol
Exact Mass1786.62
IUPAC Name1-[4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
SMILESCC(=O)c1cc(-c2cnc(C)o2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.CC(=O)c1cc(-c2cnn(C3CC3)c2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.CC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2cnn(CC(F)(F)F)c2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1
InChIInChI=1S/C23H23F3N4O2.C21H19F6N5O2.C21H20F4N4O2.C21H20F3N3O3/c1-14(31)20-9-19(16-10-27-30(12-16)17-3-4-17)18-5-2-15(8-21(18)28-20)11-29-6-7-32-22(13-29)23(24,25)26;22-20(23,24)11-32-9-13(7-29-32)15-6-17(19(28)33)30-16-5-12(1-2-14(15)16)8-31-3-4-34-18(10-31)21(25,26)27;1-13(30)18-7-17(15-8-26-29(10-15)12-22)16-3-2-14(6-19(16)27-18)9-28-4-5-31-20(11-28)21(23,24)25;1-12(28)17-8-16(19-9-25-13(2)30-19)15-4-3-14(7-18(15)26-17)10-27-5-6-29-20(11-27)21(22,23)24/h2,5,8-10,12,17,22H,3-4,6-7,11,13H2,1H3;1-2,5-7,9,18H,3-4,8,10-11H2,(H2,28,33);2-3,6-8,10,20H,4-5,9,11-12H2,1H3;3-4,7-9,20H,5-6,10-11H2,1-2H3
InChIKeyHMCCELRMHPNFLL-UHFFFAOYSA-N
XLogP16.08
TPSA275.23 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms127
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001787.67
LogP ≤ 516.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze 1-[4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The IUPAC name of 1-[4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (CID 158519947) is 1-[4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for 1-[4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The canonical SMILES for 1-[4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is CC(=O)c1cc(-c2cnc(C)o2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.CC(=O)c1cc(-c2cnn(C3CC3)c2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.CC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2cnn(CC(F)(F)F)c2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.
What is the InChIKey of 1-[4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The InChIKey is HMCCELRMHPNFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2.C21H19F6N5O2.C21H20F4N4O2.C21H20F3N3O3/c1-14(31)20-9-19(16-10-27-30(12-16)17-3-4-17)18-5-2-15(8-21(18)28-20)11-29-6-7-32-22(13-29)23(24,25)26;22-20(23,24)11-32-9-13(7-29-32)15-6-17(19(28)33)30-16-5-12(1-2-14(15)16)8-31-3-4-34-18(10-31)21(25,26)27;1-13(30)18-7-17(15-8-26-29(10-15)12-22)16-3-2-14(6-19(16)27-18)9-28-4-5-31-20(11-28)21(23,24)25;1-12(28)17-8-16(19-9-25-13(2)30-19)15-4-3-14(7-18(15)26-17)10-27-5-6-29-20(11-27)21(22,23)24/h2,5,8-10,12,17,22H,3-4,6-7,11,13H2,1H3;1-2,5-7,9,18H,3-4,8,10-11H2,(H2,28,33);2-3,6-8,10,20H,4-5,9,11-12H2,1H3;3-4,7-9,20H,5-6,10-11H2,1-2H3.
What are the key properties of 1-[4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
1-[4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide has a molecular weight of 1787.67 g/mol, XLogP of 16.08, 19 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 158519947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).