2-(4-chlorophenyl)-4-ethoxy-N-[3-(4H-pyrazol-3-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxy-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide

C124H112ClF2N29O12 — CID 159628795

IUPAC2-(4-chlorophenyl)-4-ethoxy-N-[3-(4H-pyrazol-3-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxy-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCCCC3=NN=CC3)ccc12.CCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCCc3cn[nH]n3)ccc12.CCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCc3nc4ccncc4[nH]3)ccc12.COc1cc(-c2nc(-c3ccc(F)cc3)nc3cc(C(=O)NCCCc4ncc[nH]4)ccc23)ccn1.COc1cc(-c2nc(-c3ccc(F)cc3)nc3cc(C(=O)NCCCc4ncn[nH]4)ccc23)ccn1
InChIInChI=1S/C27H23FN6O2.C26H22FN7O2.C25H22N6O3.C24H23ClN4O2.C22H22N6O3/c1-36-24-16-18(10-12-31-24)25-21-9-6-19(27(35)32-11-2-3-23-29-13-14-30-23)15-22(21)33-26(34-25)17-4-7-20(28)8-5-17;1-36-23-14-17(10-12-28-23)24-20-9-6-18(26(35)29-11-2-3-22-30-15-31-34-22)13-21(20)32-25(33-24)16-4-7-19(27)8-5-16;1-3-34-22-12-19(15-6-9-27-24(11-15)33-2)29-20-10-16(4-5-17(20)22)25(32)28-14-23-30-18-7-8-26-13-21(18)31-23;1-2-31-23-15-21(16-5-8-18(25)9-6-16)28-22-14-17(7-10-20(22)23)24(30)26-12-3-4-19-11-13-27-29-19;1-3-31-20-12-18(14-6-8-23-21(11-14)30-2)26-19-10-15(4-5-17(19)20)22(29)24-9-7-16-13-25-28-27-16/h4-10,12-16H,2-3,11H2,1H3,(H,29,30)(H,32,35);4-10,12-15H,2-3,11H2,1H3,(H,29,35)(H,30,31,34);4-13H,3,14H2,1-2H3,(H,28,32)(H,30,31);5-10,13-15H,2-4,11-12H2,1H3,(H,26,30);4-6,8,10-13H,3,7,9H2,1-2H3,(H,24,29)(H,25,27,28)
InChIKeyMOVSZIMPRNCRNN-UHFFFAOYSA-N
MW2273.90 g/mol
LogP20.57
Rot. Bonds39

About 2-(4-chlorophenyl)-4-ethoxy-N-[3-(4H-pyrazol-3-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxy-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide

2-(4-chlorophenyl)-4-ethoxy-N-[3-(4H-pyrazol-3-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxy-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide (PubChem CID 159628795) has the molecular formula C124H112ClF2N29O12 and a molecular weight of 2273.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-ethoxy-N-[3-(4H-pyrazol-3-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxy-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-ethoxy-N-[3-(4H-pyrazol-3-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxy-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide
PubChem CID159628795
Molecular FormulaC124H112ClF2N29O12
Molecular Weight2273.90 g/mol
Exact Mass2271.87
IUPAC Name2-(4-chlorophenyl)-4-ethoxy-N-[3-(4H-pyrazol-3-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxy-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCCCC3=NN=CC3)ccc12.CCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCCc3cn[nH]n3)ccc12.CCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCc3nc4ccncc4[nH]3)ccc12.COc1cc(-c2nc(-c3ccc(F)cc3)nc3cc(C(=O)NCCCc4ncc[nH]4)ccc23)ccn1.COc1cc(-c2nc(-c3ccc(F)cc3)nc3cc(C(=O)NCCCc4ncn[nH]4)ccc23)ccn1
InChIInChI=1S/C27H23FN6O2.C26H22FN7O2.C25H22N6O3.C24H23ClN4O2.C22H22N6O3/c1-36-24-16-18(10-12-31-24)25-21-9-6-19(27(35)32-11-2-3-23-29-13-14-30-23)15-22(21)33-26(34-25)17-4-7-20(28)8-5-17;1-36-23-14-17(10-12-28-23)24-20-9-6-18(26(35)29-11-2-3-22-30-15-31-34-22)13-21(20)32-25(33-24)16-4-7-19(27)8-5-16;1-3-34-22-12-19(15-6-9-27-24(11-15)33-2)29-20-10-16(4-5-17(20)22)25(32)28-14-23-30-18-7-8-26-13-21(18)31-23;1-2-31-23-15-21(16-5-8-18(25)9-6-16)28-22-14-17(7-10-20(22)23)24(30)26-12-3-4-19-11-13-27-29-19;1-3-31-20-12-18(14-6-8-23-21(11-14)30-2)26-19-10-15(4-5-17(19)20)22(29)24-9-7-16-13-25-28-27-16/h4-10,12-16H,2-3,11H2,1H3,(H,29,30)(H,32,35);4-10,12-15H,2-3,11H2,1H3,(H,29,35)(H,30,31,34);4-13H,3,14H2,1-2H3,(H,28,32)(H,30,31);5-10,13-15H,2-4,11-12H2,1H3,(H,26,30);4-6,8,10-13H,3,7,9H2,1-2H3,(H,24,29)(H,25,27,28)
InChIKeyMOVSZIMPRNCRNN-UHFFFAOYSA-N
XLogP20.57
TPSA530.01 Ų
H-Bond Donors9
H-Bond Acceptors32
Rotatable Bonds39
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002273.90
LogP ≤ 520.57
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-chlorophenyl)-4-ethoxy-N-[3-(4H-pyrazol-3-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxy-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide with MolForge

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Related Compounds

[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;[5-chloro-2-(trifluoromethyl)phenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-ethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-fluoro-6-methoxy-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-fluoro-2-(trifluoromethyl)phenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indazol-4-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 157211173
7-N-[(4-acetylphenyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 157273992
2-chloropyridine;3,5-dimethyl-1H-pyrazole;2-ethyl-1H-imidazole;2-fluoropyridine;1H-indazole;1H-indole;2-methoxypyridine;2-methoxypyrimidine;N-methylbenzamide;bis(1-methylpyrazole);5-methyl-1H-pyrazole;3-methylpyridine;1H-pyrazole;pyridin-2-amine;pyridine;1H-pyridin-2-one;N-pyridin-2-ylacetamide;1H-pyrrole;5-(trifluoromethyl)-1H-pyrazole
CID 157289352
4-chloro-5-[4-[(7-fluoro-1H-indazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-[4-(1H-imidazol-5-yl)-6-(1H-indazol-3-ylamino)pyrimidin-2-yl]-7-(trifluoromethyl)-2,3-dihydroisoindol-1-one;4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one;5-[4-(1H-indazol-3-ylamino)-6-phenoxypyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 158390937
N-[3-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide;methane
CID 158970582
4-ethoxy-N-[3-(4H-pyrazol-3-yl)propyl]-2-pyridin-4-ylquinoline-7-carboxamide;4-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-2-[3-(trifluoromethoxy)phenyl]quinoline-7-carboxamide;4-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-2-[2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]quinoline-7-carboxamide;4-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-2-[3-(trifluoromethyl)phenyl]quinoline-7-carboxamide;4-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-2-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide
CID 159322960
1-[3-[2-(6-amino-3-pyridinyl)ethynyl]-4-chlorophenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-chloro-3-[2-(2-fluoro-3-pyridinyl)ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-chloro-3-[2-(2-methoxy-3-pyridinyl)ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-chloro-3-[2-(2-methyl-3-pyridinyl)ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-3H-pyrazol-1-ium-1-yl]ethanol;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;methane;4-methyl-3-[2-[5-(methylamino)-3-pyridinyl]ethynyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 159369175
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;[5-chloro-2-(trifluoromethyl)phenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-ethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-fluoro-6-methoxy-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-fluoro-2-(trifluoromethyl)phenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indazol-4-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;methane
CID 159406793
1-[4-[6-chloro-7-[5-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methoxy]-1H-indazol-4-yl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-[5-[3-[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]propylamino]-1H-indazol-4-yl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;N-[4-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-1H-indazol-5-yl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 159635635
[3-chloro-5-(trifluoromethyl)phenyl]-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3-cyclopentylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(6,7-difluoro-1-methoxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(2-methyl-1H-indol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(7-methyl-2-propyl-3H-benzimidazol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone
CID 159760546
[5-chloro-2-(trifluoromethyl)phenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-fluoro-6-methoxy-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[5-fluoro-2-(trifluoromethyl)phenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indazol-4-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 159787021
[3-chloro-4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-cyclopropylmethanone;3-methyl-1-[4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinolin-7-yl]butan-1-one;[(3S,4S)-3-methyl-1-(7-phenylmethoxyquinolin-4-yl)piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-3-methyl-1-[7-(trifluoromethoxy)quinolin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 159863104

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-ethoxy-N-[3-(4H-pyrazol-3-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxy-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-4-ethoxy-N-[3-(4H-pyrazol-3-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxy-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide (CID 159628795) is 2-(4-chlorophenyl)-4-ethoxy-N-[3-(4H-pyrazol-3-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxy-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-4-ethoxy-N-[3-(4H-pyrazol-3-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxy-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-4-ethoxy-N-[3-(4H-pyrazol-3-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxy-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide is CCOc1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCCCC3=NN=CC3)ccc12.CCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCCc3cn[nH]n3)ccc12.CCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCc3nc4ccncc4[nH]3)ccc12.COc1cc(-c2nc(-c3ccc(F)cc3)nc3cc(C(=O)NCCCc4ncc[nH]4)ccc23)ccn1.COc1cc(-c2nc(-c3ccc(F)cc3)nc3cc(C(=O)NCCCc4ncn[nH]4)ccc23)ccn1.
What is the InChIKey of 2-(4-chlorophenyl)-4-ethoxy-N-[3-(4H-pyrazol-3-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxy-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide?
The InChIKey is MOVSZIMPRNCRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O2.C26H22FN7O2.C25H22N6O3.C24H23ClN4O2.C22H22N6O3/c1-36-24-16-18(10-12-31-24)25-21-9-6-19(27(35)32-11-2-3-23-29-13-14-30-23)15-22(21)33-26(34-25)17-4-7-20(28)8-5-17;1-36-23-14-17(10-12-28-23)24-20-9-6-18(26(35)29-11-2-3-22-30-15-31-34-22)13-21(20)32-25(33-24)16-4-7-19(27)8-5-16;1-3-34-22-12-19(15-6-9-27-24(11-15)33-2)29-20-10-16(4-5-17(20)22)25(32)28-14-23-30-18-7-8-26-13-21(18)31-23;1-2-31-23-15-21(16-5-8-18(25)9-6-16)28-22-14-17(7-10-20(22)23)24(30)26-12-3-4-19-11-13-27-29-19;1-3-31-20-12-18(14-6-8-23-21(11-14)30-2)26-19-10-15(4-5-17(19)20)22(29)24-9-7-16-13-25-28-27-16/h4-10,12-16H,2-3,11H2,1H3,(H,29,30)(H,32,35);4-10,12-15H,2-3,11H2,1H3,(H,29,35)(H,30,31,34);4-13H,3,14H2,1-2H3,(H,28,32)(H,30,31);5-10,13-15H,2-4,11-12H2,1H3,(H,26,30);4-6,8,10-13H,3,7,9H2,1-2H3,(H,24,29)(H,25,27,28).
What are the key properties of 2-(4-chlorophenyl)-4-ethoxy-N-[3-(4H-pyrazol-3-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxy-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide?
2-(4-chlorophenyl)-4-ethoxy-N-[3-(4H-pyrazol-3-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxy-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide has a molecular weight of 2273.90 g/mol, XLogP of 20.57, 39 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-ethoxy-N-[3-(4H-pyrazol-3-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxy-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide is sourced from PubChem (CID 159628795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).