1-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-ethyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-propan-2-ylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone

C113H116F15N17O10S3 — CID 158938992

IUPAC1-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-ethyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-propan-2-ylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone
SMILESCC(=O)c1cc(-c2cnc(C(C)C)s2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.CC(=O)c1cc(-c2cnc(C3CC3)s2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.CC(=O)c1cc(-c2cnn(C(C)C)c2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.CCc1ncc(-c2cc(C(C)=O)nc3cc(CN4CCOC(C(F)(F)F)C4)ccc23)s1.CCn1cc(-c2cc(C(C)=O)nc3cc(CN4CCOC(C(F)(F)F)C4)ccc23)cn1
InChIInChI=1S/C23H25F3N4O2.C23H22F3N3O2S.C23H24F3N3O2S.C22H23F3N4O2.C22H22F3N3O2S/c1-14(2)30-12-17(10-27-30)19-9-20(15(3)31)28-21-8-16(4-5-18(19)21)11-29-6-7-32-22(13-29)23(24,25)26;1-13(30)18-9-17(20-10-27-22(32-20)15-3-4-15)16-5-2-14(8-19(16)28-18)11-29-6-7-31-21(12-29)23(24,25)26;1-13(2)22-27-10-20(32-22)17-9-18(14(3)30)28-19-8-15(4-5-16(17)19)11-29-6-7-31-21(12-29)23(24,25)26;1-3-29-12-16(10-26-29)18-9-19(14(2)30)27-20-8-15(4-5-17(18)20)11-28-6-7-31-21(13-28)22(23,24)25;1-3-21-26-10-19(31-21)16-9-17(13(2)29)27-18-8-14(4-5-15(16)18)11-28-6-7-30-20(12-28)22(23,24)25/h4-5,8-10,12,14,22H,6-7,11,13H2,1-3H3;2,5,8-10,15,21H,3-4,6-7,11-12H2,1H3;4-5,8-10,13,21H,6-7,11-12H2,1-3H3;4-5,8-10,12,21H,3,6-7,11,13H2,1-2H3;4-5,8-10,20H,3,6-7,11-12H2,1-2H3
InChIKeyJJZYOJOVNNNDSR-UHFFFAOYSA-N
MW2253.45 g/mol
LogP24.26
Rot. Bonds25

About 1-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-ethyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-propan-2-ylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone

1-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-ethyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-propan-2-ylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone (PubChem CID 158938992) has the molecular formula C113H116F15N17O10S3 and a molecular weight of 2253.45 g/mol. Its IUPAC name is 1-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-ethyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-propan-2-ylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-ethyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-propan-2-ylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone
PubChem CID158938992
Molecular FormulaC113H116F15N17O10S3
Molecular Weight2253.45 g/mol
Exact Mass2251.80
IUPAC Name1-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-ethyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-propan-2-ylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone
SMILESCC(=O)c1cc(-c2cnc(C(C)C)s2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.CC(=O)c1cc(-c2cnc(C3CC3)s2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.CC(=O)c1cc(-c2cnn(C(C)C)c2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.CCc1ncc(-c2cc(C(C)=O)nc3cc(CN4CCOC(C(F)(F)F)C4)ccc23)s1.CCn1cc(-c2cc(C(C)=O)nc3cc(CN4CCOC(C(F)(F)F)C4)ccc23)cn1
InChIInChI=1S/C23H25F3N4O2.C23H22F3N3O2S.C23H24F3N3O2S.C22H23F3N4O2.C22H22F3N3O2S/c1-14(2)30-12-17(10-27-30)19-9-20(15(3)31)28-21-8-16(4-5-18(19)21)11-29-6-7-32-22(13-29)23(24,25)26;1-13(30)18-9-17(20-10-27-22(32-20)15-3-4-15)16-5-2-14(8-19(16)28-18)11-29-6-7-31-21(12-29)23(24,25)26;1-13(2)22-27-10-20(32-22)17-9-18(14(3)30)28-19-8-15(4-5-16(17)19)11-29-6-7-31-21(12-29)23(24,25)26;1-3-29-12-16(10-26-29)18-9-19(14(2)30)27-20-8-15(4-5-17(18)20)11-28-6-7-31-21(13-28)22(23,24)25;1-3-21-26-10-19(31-21)16-9-17(13(2)29)27-18-8-14(4-5-15(16)18)11-28-6-7-30-20(12-28)22(23,24)25/h4-5,8-10,12,14,22H,6-7,11,13H2,1-3H3;2,5,8-10,15,21H,3-4,6-7,11-12H2,1H3;4-5,8-10,13,21H,6-7,11-12H2,1-3H3;4-5,8-10,12,21H,3,6-7,11,13H2,1-2H3;4-5,8-10,20H,3,6-7,11-12H2,1-2H3
InChIKeyJJZYOJOVNNNDSR-UHFFFAOYSA-N
XLogP24.26
TPSA286.46 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds25
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002253.45
LogP ≤ 524.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 1-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-ethyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-propan-2-ylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone with MolForge

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Related Compounds

7-[(3,3-Difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;7-[(3-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(1-propan-2-ylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 157085775
1-[4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-2-yl]ethanone;1-[4-(5-methyl-1,3-thiazol-2-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone
CID 157165512
7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-(1,3-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;1-[7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)quinolin-2-yl]ethanone
CID 157273223
1-[7-[(4-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[3-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1H-pyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone
CID 157427987
1-[7-(4-azaspiro[2.5]octan-4-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(1,5-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone
CID 157479191
7-[(2,2-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(2-methoxy-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[(3R)-3-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 157637631
7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-[2-(fluoromethyl)-1,3-thiazol-5-yl]-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)thiomorpholin-4-yl]methyl]quinoline-2-carboxamide
CID 158010316
4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[2-(difluoromethyl)-1,3-thiazol-5-yl]-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[2-(fluoromethyl)-1,3-thiazol-5-yl]-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[[3-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide)
CID 158019717
7-[(4-Aminopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,2-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(3,3-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(2-methoxy-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(2-methyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 158098992
7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-(4-azaspiro[2.5]octan-4-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;4-(5-methyl-1,3-thiazol-2-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 158258542
7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;7-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)thiomorpholin-4-yl]methyl]quinoline-2-carboxamide
CID 158417586
4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;1-[4-(1,3-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1,5-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;methane;1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)quinolin-2-yl]ethanone
CID 158584501

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-ethyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-propan-2-ylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone?
The IUPAC name of 1-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-ethyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-propan-2-ylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone (CID 158938992) is 1-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-ethyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-propan-2-ylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone.
What is the SMILES notation for 1-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-ethyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-propan-2-ylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone?
The canonical SMILES for 1-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-ethyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-propan-2-ylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone is CC(=O)c1cc(-c2cnc(C(C)C)s2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.CC(=O)c1cc(-c2cnc(C3CC3)s2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.CC(=O)c1cc(-c2cnn(C(C)C)c2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.CCc1ncc(-c2cc(C(C)=O)nc3cc(CN4CCOC(C(F)(F)F)C4)ccc23)s1.CCn1cc(-c2cc(C(C)=O)nc3cc(CN4CCOC(C(F)(F)F)C4)ccc23)cn1.
What is the InChIKey of 1-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-ethyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-propan-2-ylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone?
The InChIKey is JJZYOJOVNNNDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O2.C23H22F3N3O2S.C23H24F3N3O2S.C22H23F3N4O2.C22H22F3N3O2S/c1-14(2)30-12-17(10-27-30)19-9-20(15(3)31)28-21-8-16(4-5-18(19)21)11-29-6-7-32-22(13-29)23(24,25)26;1-13(30)18-9-17(20-10-27-22(32-20)15-3-4-15)16-5-2-14(8-19(16)28-18)11-29-6-7-31-21(12-29)23(24,25)26;1-13(2)22-27-10-20(32-22)17-9-18(14(3)30)28-19-8-15(4-5-16(17)19)11-29-6-7-31-21(12-29)23(24,25)26;1-3-29-12-16(10-26-29)18-9-19(14(2)30)27-20-8-15(4-5-17(18)20)11-28-6-7-31-21(13-28)22(23,24)25;1-3-21-26-10-19(31-21)16-9-17(13(2)29)27-18-8-14(4-5-15(16)18)11-28-6-7-30-20(12-28)22(23,24)25/h4-5,8-10,12,14,22H,6-7,11,13H2,1-3H3;2,5,8-10,15,21H,3-4,6-7,11-12H2,1H3;4-5,8-10,13,21H,6-7,11-12H2,1-3H3;4-5,8-10,12,21H,3,6-7,11,13H2,1-2H3;4-5,8-10,20H,3,6-7,11-12H2,1-2H3.
What are the key properties of 1-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-ethyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-propan-2-ylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone?
1-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-ethyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-propan-2-ylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone has a molecular weight of 2253.45 g/mol, XLogP of 24.26, 25 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-ethyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-propan-2-ylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone is sourced from PubChem (CID 158938992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).