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

C101H94F22N24O11 — CID 161339362

IUPAC4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
SMILESCc1ncc(-c2cc(C(N)=O)nc3cc(CN4CCOC(C(F)(F)F)C4)ccc23)o1.NC(=O)c1cc(-c2cnn(C(F)F)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.NC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCO[C@H](C(F)(F)F)C3)cc2n1
InChIInChI=1S/C21H19F6N5O2.C20H18F5N5O2.2C20H19F4N5O2.C20H19F3N4O3/c22-20(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;21-19(22)30-9-12(7-27-30)14-6-16(18(26)31)28-15-5-11(1-2-13(14)15)8-29-3-4-32-17(10-29)20(23,24)25;2*21-11-29-9-13(7-26-29)15-6-17(19(25)30)27-16-5-12(1-2-14(15)16)8-28-3-4-31-18(10-28)20(22,23)24;1-11-25-8-17(30-11)14-7-16(19(24)28)26-15-6-12(2-3-13(14)15)9-27-4-5-29-18(10-27)20(21,22)23/h1-2,5-7,9,18H,3-4,8,10-11H2,(H2,28,33);1-2,5-7,9,17,19H,3-4,8,10H2,(H2,26,31);2*1-2,5-7,9,18H,3-4,8,10-11H2,(H2,25,30);2-3,6-8,18H,4-5,9-10H2,1H3,(H2,24,28)/t;;18-;;/m..0../s1
InChIKeyVMLPYNFTIXYZOI-KIBZQSNASA-N
MW2237.98 g/mol
LogP15.71
Rot. Bonds24

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

4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (PubChem CID 161339362) has the molecular formula C101H94F22N24O11 and a molecular weight of 2237.98 g/mol. Its IUPAC name is 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
PubChem CID161339362
Molecular FormulaC101H94F22N24O11
Molecular Weight2237.98 g/mol
Exact Mass2236.72
IUPAC Name4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
SMILESCc1ncc(-c2cc(C(N)=O)nc3cc(CN4CCOC(C(F)(F)F)C4)ccc23)o1.NC(=O)c1cc(-c2cnn(C(F)F)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.NC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCO[C@H](C(F)(F)F)C3)cc2n1
InChIInChI=1S/C21H19F6N5O2.C20H18F5N5O2.2C20H19F4N5O2.C20H19F3N4O3/c22-20(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;21-19(22)30-9-12(7-27-30)14-6-16(18(26)31)28-15-5-11(1-2-13(14)15)8-29-3-4-32-17(10-29)20(23,24)25;2*21-11-29-9-13(7-26-29)15-6-17(19(25)30)27-16-5-12(1-2-14(15)16)8-28-3-4-31-18(10-28)20(22,23)24;1-11-25-8-17(30-11)14-7-16(19(24)28)26-15-6-12(2-3-13(14)15)9-27-4-5-29-18(10-27)20(21,22)23/h1-2,5-7,9,18H,3-4,8,10-11H2,(H2,28,33);1-2,5-7,9,17,19H,3-4,8,10H2,(H2,26,31);2*1-2,5-7,9,18H,3-4,8,10-11H2,(H2,25,30);2-3,6-8,18H,4-5,9-10H2,1H3,(H2,24,28)/t;;18-;;/m..0../s1
InChIKeyVMLPYNFTIXYZOI-KIBZQSNASA-N
XLogP15.71
TPSA439.56 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002237.98
LogP ≤ 515.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;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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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
4-(1-cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-propan-2-ylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1H-pyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 157610261
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
7-[(3,3-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-oxa-8-azaspiro[4.5]decan-8-ylmethyl)quinoline-2-carboxamide;7-[[(3S)-3-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 158722661
7-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[3-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide
CID 158805480
1-[7-[(6-Cyclopropyl-3-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[8-fluoro-7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide
CID 159185563
2-[4,7-Bis(trifluoromethyl)-1,10-phenanthrolin-2-yl]-5-[3-[5-[4,7-bis(trifluoromethyl)-1,10-phenanthrolin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(4,7-difluoro-1,10-phenanthrolin-2-yl)-5-[3-[5-(4,7-difluoro-1,10-phenanthrolin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(4,7-dimethyl-1,10-phenanthrolin-2-yl)-5-[3-[5-(4,7-dimethyl-1,10-phenanthrolin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(4,7-diphenyl-1,10-phenanthrolin-2-yl)-5-[3-[5-(4,7-diphenyl-1,10-phenanthrolin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(1,10-phenanthrolin-2-yl)-5-[3-[5-(1,10-phenanthrolin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 159281961
8-Fluoro-4-(2-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(3-fluoro-4-methoxyphenyl)-7-[[3-(1,1,1-trifluoro-2-hydroxybutan-2-yl)pyrrol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[(4-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide
CID 159882875
4-(1-Cyclopropylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 160139773
1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(1-fluorocyclohexyl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-(2,2,3,3,5,5,6-heptadeuterio-6-methylmorpholin-4-yl)-3-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]propan-2-one;1-(2,2,3,3,5,5,6-heptadeuterio-6-methylmorpholin-4-yl)-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one;1-(4-methylcyclohexyl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;N-methyl-N-(1-methylpiperidin-4-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]acetamide;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-piperidin-1-ylethanone
CID 160480527
2-(4,7-Difluoro-1,10-phenanthrolin-2-yl)-5-[3-[5-(4-fluoro-7-methyl-1,10-phenanthrolin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(4,7-dimethyl-1,10-phenanthrolin-2-yl)-5-[3-[5-(4,7-dimethyl-1,10-phenanthrolin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(4,7-diphenyl-1,10-phenanthrolin-2-yl)-5-[3-[5-(4,7-diphenyl-1,10-phenanthrolin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-5-[3-[5-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(1,10-phenanthrolin-2-yl)-5-[3-[5-(1,10-phenanthrolin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(3,4,7,8-tetramethyl-1,10-phenanthrolin-2-yl)-5-[3-[5-[3,7,8-trimethyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 160542161
7-[[4-Fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;1-[4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-2-yl]ethanone
CID 161106045

Frequently Asked Questions

What is the IUPAC name of 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The IUPAC name of 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (CID 161339362) is 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;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 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The canonical SMILES for 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is Cc1ncc(-c2cc(C(N)=O)nc3cc(CN4CCOC(C(F)(F)F)C4)ccc23)o1.NC(=O)c1cc(-c2cnn(C(F)F)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.NC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCO[C@H](C(F)(F)F)C3)cc2n1.
What is the InChIKey of 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The InChIKey is VMLPYNFTIXYZOI-KIBZQSNASA-N. The full InChI is InChI=1S/C21H19F6N5O2.C20H18F5N5O2.2C20H19F4N5O2.C20H19F3N4O3/c22-20(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;21-19(22)30-9-12(7-27-30)14-6-16(18(26)31)28-15-5-11(1-2-13(14)15)8-29-3-4-32-17(10-29)20(23,24)25;2*21-11-29-9-13(7-26-29)15-6-17(19(25)30)27-16-5-12(1-2-14(15)16)8-28-3-4-31-18(10-28)20(22,23)24;1-11-25-8-17(30-11)14-7-16(19(24)28)26-15-6-12(2-3-13(14)15)9-27-4-5-29-18(10-27)20(21,22)23/h1-2,5-7,9,18H,3-4,8,10-11H2,(H2,28,33);1-2,5-7,9,17,19H,3-4,8,10H2,(H2,26,31);2*1-2,5-7,9,18H,3-4,8,10-11H2,(H2,25,30);2-3,6-8,18H,4-5,9-10H2,1H3,(H2,24,28)/t;;18-;;/m..0../s1.
What are the key properties of 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide has a molecular weight of 2237.98 g/mol, XLogP of 15.71, 24 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(2-methyl-1,3-oxazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 161339362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).