7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(2,2,2-trifluoroethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide

C108H118F10N24O9 — CID 159607222

IUPAC7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(2,2,2-trifluoroethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide
SMILESCC(C)CC1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)CCO1.CCC1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)CCO1.C[C@@H]1CN(Cc2ccc3c(-c4cn[nH]c4)cc(C(N)=O)nc3c2)C[C@H](C(F)(F)F)O1.C[C@@H]1CNC(C(F)(F)F)CN1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCOC(CC(F)(F)F)C4)ccc23)cn1
InChIInChI=1S/C23H22F4N4O.C23H29N5O2.C21H22F3N5O2.C21H25N5O2.C20H20F3N5O2/c1-13-10-29-21(23(25,26)27)12-31(13)11-14-2-7-17-18(15-3-5-16(24)6-4-15)9-20(22(28)32)30-19(17)8-14;1-15(2)8-18-14-28(6-7-30-18)12-16-4-5-19-20(17-11-25-27(3)13-17)10-22(23(24)29)26-21(19)9-16;1-28-11-14(9-26-28)17-7-19(20(25)30)27-18-6-13(2-3-16(17)18)10-29-4-5-31-15(12-29)8-21(22,23)24;1-3-16-13-26(6-7-28-16)11-14-4-5-17-18(15-10-23-25(2)12-15)9-20(21(22)27)24-19(17)8-14;1-11-8-28(10-18(30-11)20(21,22)23)9-12-2-3-14-15(13-6-25-26-7-13)5-17(19(24)29)27-16(14)4-12/h2-9,13,21,29H,10-12H2,1H3,(H2,28,32);4-5,9-11,13,15,18H,6-8,12,14H2,1-3H3,(H2,24,29);2-3,6-7,9,11,15H,4-5,8,10,12H2,1H3,(H2,25,30);4-5,8-10,12,16H,3,6-7,11,13H2,1-2H3,(H2,22,27);2-7,11,18H,8-10H2,1H3,(H2,24,29)(H,25,26)/t13-,21?;;;;11-,18-/m1...1/s1
InChIKeyMMFRUDJBBDDTEJ-STSNVAGESA-N
MW2086.27 g/mol
LogP14.95
Rot. Bonds24

About 7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(2,2,2-trifluoroethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide

7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(2,2,2-trifluoroethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide (PubChem CID 159607222) has the molecular formula C108H118F10N24O9 and a molecular weight of 2086.27 g/mol. Its IUPAC name is 7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(2,2,2-trifluoroethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(2,2,2-trifluoroethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide
PubChem CID159607222
Molecular FormulaC108H118F10N24O9
Molecular Weight2086.27 g/mol
Exact Mass2084.94
IUPAC Name7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(2,2,2-trifluoroethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide
SMILESCC(C)CC1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)CCO1.CCC1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)CCO1.C[C@@H]1CN(Cc2ccc3c(-c4cn[nH]c4)cc(C(N)=O)nc3c2)C[C@H](C(F)(F)F)O1.C[C@@H]1CNC(C(F)(F)F)CN1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCOC(CC(F)(F)F)C4)ccc23)cn1
InChIInChI=1S/C23H22F4N4O.C23H29N5O2.C21H22F3N5O2.C21H25N5O2.C20H20F3N5O2/c1-13-10-29-21(23(25,26)27)12-31(13)11-14-2-7-17-18(15-3-5-16(24)6-4-15)9-20(22(28)32)30-19(17)8-14;1-15(2)8-18-14-28(6-7-30-18)12-16-4-5-19-20(17-11-25-27(3)13-17)10-22(23(24)29)26-21(19)9-16;1-28-11-14(9-26-28)17-7-19(20(25)30)27-18-6-13(2-3-16(17)18)10-29-4-5-31-15(12-29)8-21(22,23)24;1-3-16-13-26(6-7-28-16)11-14-4-5-17-18(15-10-23-25(2)12-15)9-20(21(22)27)24-19(17)8-14;1-11-8-28(10-18(30-11)20(21,22)23)9-12-2-3-14-15(13-6-25-26-7-13)5-17(19(24)29)27-16(14)4-12/h2-9,13,21,29H,10-12H2,1H3,(H2,28,32);4-5,9-11,13,15,18H,6-8,12,14H2,1-3H3,(H2,24,29);2-3,6-7,9,11,15H,4-5,8,10,12H2,1H3,(H2,25,30);4-5,8-10,12,16H,3,6-7,11,13H2,1-2H3,(H2,22,27);2-7,11,18H,8-10H2,1H3,(H2,24,29)(H,25,26)/t13-,21?;;;;11-,18-/m1...1/s1
InChIKeyMMFRUDJBBDDTEJ-STSNVAGESA-N
XLogP14.95
TPSA427.19 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002086.27
LogP ≤ 514.95
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Analyze 7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(2,2,2-trifluoroethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide with MolForge

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Related Compounds

4-(2-methyl-1H-pyrazol-2-ium-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 148973379
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
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157147381
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 157168849
(4R)-4-[3-[3-(1,1-difluoroethyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-indazol-1-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-quinolin-3-yl-2-pyridinyl)ethyl]acetamide
CID 157181828
(4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[(2-cyclopentyl-2-phenylacetyl)amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyrrolo[3,2-c]pyridin-1-ylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157206651
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pentan-2-one;(4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(2R)-5-cyclopentyl-1-(3,5-difluorophenyl)-4-oxo-5-phenylpentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-1-[5-(trifluoromethyl)-1H-indol-3-yl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-pyrrolo[3,2-c]pyridin-1-ylpentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157245939
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
bis(N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide);5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;N-(6-phenyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 157275842
1-[4-[9-(4-aminophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;1-[4-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
CID 157282571
7-[[6-chloro-3-(trifluoromethyl)pyridazin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2,6-dimethyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;methane;4-(2-methyl-1H-pyrazol-2-ium-4-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;1-[4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-yl]ethanone
CID 157331488
5-(5-amino-3-pyridinyl)-N-(3-benzylphenyl)-1H-indazole-3-carboxamide;N-(3-benzylphenyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(3-benzylphenyl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-benzyl-3-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-benzyl-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 157350161

Frequently Asked Questions

What is the IUPAC name of 7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(2,2,2-trifluoroethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide?
The IUPAC name of 7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(2,2,2-trifluoroethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide (CID 159607222) is 7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(2,2,2-trifluoroethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide.
What is the SMILES notation for 7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(2,2,2-trifluoroethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide?
The canonical SMILES for 7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(2,2,2-trifluoroethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide is CC(C)CC1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)CCO1.CCC1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)CCO1.C[C@@H]1CN(Cc2ccc3c(-c4cn[nH]c4)cc(C(N)=O)nc3c2)C[C@H](C(F)(F)F)O1.C[C@@H]1CNC(C(F)(F)F)CN1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCOC(CC(F)(F)F)C4)ccc23)cn1.
What is the InChIKey of 7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(2,2,2-trifluoroethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide?
The InChIKey is MMFRUDJBBDDTEJ-STSNVAGESA-N. The full InChI is InChI=1S/C23H22F4N4O.C23H29N5O2.C21H22F3N5O2.C21H25N5O2.C20H20F3N5O2/c1-13-10-29-21(23(25,26)27)12-31(13)11-14-2-7-17-18(15-3-5-16(24)6-4-15)9-20(22(28)32)30-19(17)8-14;1-15(2)8-18-14-28(6-7-30-18)12-16-4-5-19-20(17-11-25-27(3)13-17)10-22(23(24)29)26-21(19)9-16;1-28-11-14(9-26-28)17-7-19(20(25)30)27-18-6-13(2-3-16(17)18)10-29-4-5-31-15(12-29)8-21(22,23)24;1-3-16-13-26(6-7-28-16)11-14-4-5-17-18(15-10-23-25(2)12-15)9-20(21(22)27)24-19(17)8-14;1-11-8-28(10-18(30-11)20(21,22)23)9-12-2-3-14-15(13-6-25-26-7-13)5-17(19(24)29)27-16(14)4-12/h2-9,13,21,29H,10-12H2,1H3,(H2,28,32);4-5,9-11,13,15,18H,6-8,12,14H2,1-3H3,(H2,24,29);2-3,6-7,9,11,15H,4-5,8,10,12H2,1H3,(H2,25,30);4-5,8-10,12,16H,3,6-7,11,13H2,1-2H3,(H2,22,27);2-7,11,18H,8-10H2,1H3,(H2,24,29)(H,25,26)/t13-,21?;;;;11-,18-/m1...1/s1.
What are the key properties of 7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(2,2,2-trifluoroethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide?
7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(2,2,2-trifluoroethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide has a molecular weight of 2086.27 g/mol, XLogP of 14.95, 24 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(2,2,2-trifluoroethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1H-pyrazol-4-yl)quinoline-2-carboxamide is sourced from PubChem (CID 159607222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).