4-chloro-2,6-difluoro-7-[1H-imidazol-5-yl-(5-methyl-2-pyridinyl)methyl]quinoline;6-[(6-chloro-4-fluoro-3-pyridinyl)-(1H-imidazol-5-yl)methyl]quinoline;5-cyclopropyl-7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline;6-[1H-imidazol-5-yl-(5-methyl-3-pyridinyl)methyl]quinoline;6-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-1,3-benzoxazole;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-4,6-dimethylquinoline;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-2-methylquinoline;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]-8-methylquinoline-4-carboxylic acid;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]quinolin-5-ol;6-[1H-imidazol-5-yl(thiophen-2-yl)methyl]-8-methylquinoline

C188H150Cl2F3N39O4S — CID 158539279

IUPAC4-chloro-2,6-difluoro-7-[1H-imidazol-5-yl-(5-methyl-2-pyridinyl)methyl]quinoline;6-[(6-chloro-4-fluoro-3-pyridinyl)-(1H-imidazol-5-yl)methyl]quinoline;5-cyclopropyl-7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline;6-[1H-imidazol-5-yl-(5-methyl-3-pyridinyl)methyl]quinoline;6-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-1,3-benzoxazole;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-4,6-dimethylquinoline;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-2-methylquinoline;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]-8-methylquinoline-4-carboxylic acid;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]quinolin-5-ol;6-[1H-imidazol-5-yl(thiophen-2-yl)methyl]-8-methylquinoline
SMILESCc1cc(C(c2cccnc2)c2cnc[nH]2)cc2c(C(=O)O)ccnc12.Cc1cc(C(c2cnc[nH]2)c2cccs2)cc2cccnc12.Cc1cc2c(C)ccnc2cc1C(c1ccccn1)c1cnc[nH]1.Cc1ccc(C(c2cnc[nH]2)c2cc3nc(F)cc(Cl)c3cc2F)nc1.Cc1ccc2ccc(C(c3ccccn3)c3cnc[nH]3)cc2n1.Cc1cncc(C(c2ccc3ncccc3c2)c2cnc[nH]2)c1.Fc1cc(Cl)ncc1C(c1ccc2ncccc2c1)c1cnc[nH]1.Oc1c(C(c2cccnc2)c2cnc[nH]2)ccc2ncccc12.c1ccc(C(c2cc(C3CC3)c3cccnc3c2)c2cnc[nH]2)nc1.c1ccc(C(c2ccc3ncoc3c2)c2cnc[nH]2)nc1
InChIInChI=1S/C21H18N4.C20H16N4O2.C20H18N4.C19H13ClF2N4.2C19H16N4.C18H12ClFN4.C18H14N4O.C18H15N3S.C16H12N4O/c1-2-8-23-18(5-1)21(20-12-22-13-25-20)15-10-17(14-6-7-14)16-4-3-9-24-19(16)11-15;1-12-7-14(8-16-15(20(25)26)4-6-23-19(12)16)18(17-10-22-11-24-17)13-3-2-5-21-9-13;1-13-6-8-23-18-10-16(14(2)9-15(13)18)20(19-11-21-12-24-19)17-5-3-4-7-22-17;1-10-2-3-15(24-7-10)19(17-8-23-9-25-17)12-5-16-11(4-14(12)21)13(20)6-18(22)26-16;1-13-7-16(10-20-9-13)19(18-11-21-12-23-18)15-4-5-17-14(8-15)3-2-6-22-17;1-13-5-6-14-7-8-15(10-17(14)23-13)19(18-11-20-12-22-18)16-4-2-3-9-21-16;19-17-7-14(20)13(8-23-17)18(16-9-21-10-24-16)12-3-4-15-11(6-12)2-1-5-22-15;23-18-13-4-2-8-21-15(13)6-5-14(18)17(16-10-20-11-22-16)12-3-1-7-19-9-12;1-12-8-14(9-13-4-2-6-20-18(12)13)17(15-10-19-11-21-15)16-5-3-7-22-16;1-2-6-18-13(3-1)16(14-8-17-9-19-14)11-4-5-12-15(7-11)21-10-20-12/h1-5,8-14,21H,6-7H2,(H,22,25);2-11,18H,1H3,(H,22,24)(H,25,26);3-12,20H,1-2H3,(H,21,24);2-9,19H,1H3,(H,23,25);2-12,19H,1H3,(H,21,23);2-12,19H,1H3,(H,20,22);1-10,18H,(H,21,24);1-11,17,23H,(H,20,22);2-11,17H,1H3,(H,19,21);1-10,16H,(H,17,19)
InChIKeyHOHYYWFXUDNVLE-UHFFFAOYSA-N
MW3179.50 g/mol
LogP39.75
Rot. Bonds32

About 4-chloro-2,6-difluoro-7-[1H-imidazol-5-yl-(5-methyl-2-pyridinyl)methyl]quinoline;6-[(6-chloro-4-fluoro-3-pyridinyl)-(1H-imidazol-5-yl)methyl]quinoline;5-cyclopropyl-7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline;6-[1H-imidazol-5-yl-(5-methyl-3-pyridinyl)methyl]quinoline;6-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-1,3-benzoxazole;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-4,6-dimethylquinoline;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-2-methylquinoline;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]-8-methylquinoline-4-carboxylic acid;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]quinolin-5-ol;6-[1H-imidazol-5-yl(thiophen-2-yl)methyl]-8-methylquinoline

4-chloro-2,6-difluoro-7-[1H-imidazol-5-yl-(5-methyl-2-pyridinyl)methyl]quinoline;6-[(6-chloro-4-fluoro-3-pyridinyl)-(1H-imidazol-5-yl)methyl]quinoline;5-cyclopropyl-7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline;6-[1H-imidazol-5-yl-(5-methyl-3-pyridinyl)methyl]quinoline;6-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-1,3-benzoxazole;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-4,6-dimethylquinoline;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-2-methylquinoline;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]-8-methylquinoline-4-carboxylic acid;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]quinolin-5-ol;6-[1H-imidazol-5-yl(thiophen-2-yl)methyl]-8-methylquinoline (PubChem CID 158539279) has the molecular formula C188H150Cl2F3N39O4S and a molecular weight of 3179.50 g/mol. Its IUPAC name is 4-chloro-2,6-difluoro-7-[1H-imidazol-5-yl-(5-methyl-2-pyridinyl)methyl]quinoline;6-[(6-chloro-4-fluoro-3-pyridinyl)-(1H-imidazol-5-yl)methyl]quinoline;5-cyclopropyl-7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline;6-[1H-imidazol-5-yl-(5-methyl-3-pyridinyl)methyl]quinoline;6-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-1,3-benzoxazole;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-4,6-dimethylquinoline;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-2-methylquinoline;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]-8-methylquinoline-4-carboxylic acid;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]quinolin-5-ol;6-[1H-imidazol-5-yl(thiophen-2-yl)methyl]-8-methylquinoline.

Molecular Properties

Compound Name4-chloro-2,6-difluoro-7-[1H-imidazol-5-yl-(5-methyl-2-pyridinyl)methyl]quinoline;6-[(6-chloro-4-fluoro-3-pyridinyl)-(1H-imidazol-5-yl)methyl]quinoline;5-cyclopropyl-7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline;6-[1H-imidazol-5-yl-(5-methyl-3-pyridinyl)methyl]quinoline;6-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-1,3-benzoxazole;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-4,6-dimethylquinoline;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-2-methylquinoline;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]-8-methylquinoline-4-carboxylic acid;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]quinolin-5-ol;6-[1H-imidazol-5-yl(thiophen-2-yl)methyl]-8-methylquinoline
PubChem CID158539279
Molecular FormulaC188H150Cl2F3N39O4S
Molecular Weight3179.50 g/mol
Exact Mass3176.18
IUPAC Name4-chloro-2,6-difluoro-7-[1H-imidazol-5-yl-(5-methyl-2-pyridinyl)methyl]quinoline;6-[(6-chloro-4-fluoro-3-pyridinyl)-(1H-imidazol-5-yl)methyl]quinoline;5-cyclopropyl-7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline;6-[1H-imidazol-5-yl-(5-methyl-3-pyridinyl)methyl]quinoline;6-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-1,3-benzoxazole;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-4,6-dimethylquinoline;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-2-methylquinoline;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]-8-methylquinoline-4-carboxylic acid;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]quinolin-5-ol;6-[1H-imidazol-5-yl(thiophen-2-yl)methyl]-8-methylquinoline
SMILESCc1cc(C(c2cccnc2)c2cnc[nH]2)cc2c(C(=O)O)ccnc12.Cc1cc(C(c2cnc[nH]2)c2cccs2)cc2cccnc12.Cc1cc2c(C)ccnc2cc1C(c1ccccn1)c1cnc[nH]1.Cc1ccc(C(c2cnc[nH]2)c2cc3nc(F)cc(Cl)c3cc2F)nc1.Cc1ccc2ccc(C(c3ccccn3)c3cnc[nH]3)cc2n1.Cc1cncc(C(c2ccc3ncccc3c2)c2cnc[nH]2)c1.Fc1cc(Cl)ncc1C(c1ccc2ncccc2c1)c1cnc[nH]1.Oc1c(C(c2cccnc2)c2cnc[nH]2)ccc2ncccc12.c1ccc(C(c2cc(C3CC3)c3cccnc3c2)c2cnc[nH]2)nc1.c1ccc(C(c2ccc3ncoc3c2)c2cnc[nH]2)nc1
InChIInChI=1S/C21H18N4.C20H16N4O2.C20H18N4.C19H13ClF2N4.2C19H16N4.C18H12ClFN4.C18H14N4O.C18H15N3S.C16H12N4O/c1-2-8-23-18(5-1)21(20-12-22-13-25-20)15-10-17(14-6-7-14)16-4-3-9-24-19(16)11-15;1-12-7-14(8-16-15(20(25)26)4-6-23-19(12)16)18(17-10-22-11-24-17)13-3-2-5-21-9-13;1-13-6-8-23-18-10-16(14(2)9-15(13)18)20(19-11-21-12-24-19)17-5-3-4-7-22-17;1-10-2-3-15(24-7-10)19(17-8-23-9-25-17)12-5-16-11(4-14(12)21)13(20)6-18(22)26-16;1-13-7-16(10-20-9-13)19(18-11-21-12-23-18)15-4-5-17-14(8-15)3-2-6-22-17;1-13-5-6-14-7-8-15(10-17(14)23-13)19(18-11-20-12-22-18)16-4-2-3-9-21-16;19-17-7-14(20)13(8-23-17)18(16-9-21-10-24-16)12-3-4-15-11(6-12)2-1-5-22-15;23-18-13-4-2-8-21-15(13)6-5-14(18)17(16-10-20-11-22-16)12-3-1-7-19-9-12;1-12-8-14(9-13-4-2-6-20-18(12)13)17(15-10-19-11-21-15)16-5-3-7-22-16;1-2-6-18-13(3-1)16(14-8-17-9-19-14)11-4-5-12-15(7-11)21-10-20-12/h1-5,8-14,21H,6-7H2,(H,22,25);2-11,18H,1H3,(H,22,24)(H,25,26);3-12,20H,1-2H3,(H,21,24);2-9,19H,1H3,(H,23,25);2-12,19H,1H3,(H,21,23);2-12,19H,1H3,(H,20,22);1-10,18H,(H,21,24);1-11,17,23H,(H,20,22);2-11,17H,1H3,(H,19,21);1-10,16H,(H,17,19)
InChIKeyHOHYYWFXUDNVLE-UHFFFAOYSA-N
XLogP39.75
TPSA602.38 Ų
H-Bond Donors12
H-Bond Acceptors33
Rotatable Bonds32
Heavy Atoms237
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003179.50
LogP ≤ 539.75
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-chloro-2,6-difluoro-7-[1H-imidazol-5-yl-(5-methyl-2-pyridinyl)methyl]quinoline;6-[(6-chloro-4-fluoro-3-pyridinyl)-(1H-imidazol-5-yl)methyl]quinoline;5-cyclopropyl-7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline;6-[1H-imidazol-5-yl-(5-methyl-3-pyridinyl)methyl]quinoline;6-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-1,3-benzoxazole;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-4,6-dimethylquinoline;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-2-methylquinoline;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]-8-methylquinoline-4-carboxylic acid;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]quinolin-5-ol;6-[1H-imidazol-5-yl(thiophen-2-yl)methyl]-8-methylquinoline with MolForge

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Launch Full Analysis

Related Compounds

ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 157249492
4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;2-chloro-6-propan-2-yl-1H-indol-4-ol;8-chloro-6-propan-2-ylquinoline;2-methoxy-6-propan-2-ylquinoline;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indol-7-ol;6-propan-2-ylquinoline
CID 157265856
4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;2-chloro-6-propan-2-yl-1H-indol-4-ol;2-methoxy-6-propan-2-ylquinoline;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indol-7-ol;6-propan-2-ylquinoline
CID 158069535
propyl 4-[2-(1,3-benzoxazol-5-yl)-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(2-cyclopropylacetyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(ethylcarbamoyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methylbenzimidazol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzothiazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzoxazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-1H-indol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1H-pyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1,2,5-trimethylpyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate
CID 158096423
6-tert-butyl-1,2,3,4-tetrahydroquinoline;ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 158886614
ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 161213342
6-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-5,6,7,8-tetrahydroquinoline;ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 167692410
4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;2-chloro-6-propan-2-yl-1H-indol-4-ol;bis(8-chloro-6-propan-2-ylquinoline);2-methoxy-6-propan-2-ylquinoline;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-ylquinoline;4-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indol-7-ol;6-propan-2-ylisoquinoline;6-propan-2-ylquinoline
CID 167703256

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-difluoro-7-[1H-imidazol-5-yl-(5-methyl-2-pyridinyl)methyl]quinoline;6-[(6-chloro-4-fluoro-3-pyridinyl)-(1H-imidazol-5-yl)methyl]quinoline;5-cyclopropyl-7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline;6-[1H-imidazol-5-yl-(5-methyl-3-pyridinyl)methyl]quinoline;6-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-1,3-benzoxazole;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-4,6-dimethylquinoline;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-2-methylquinoline;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]-8-methylquinoline-4-carboxylic acid;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]quinolin-5-ol;6-[1H-imidazol-5-yl(thiophen-2-yl)methyl]-8-methylquinoline?
The IUPAC name of 4-chloro-2,6-difluoro-7-[1H-imidazol-5-yl-(5-methyl-2-pyridinyl)methyl]quinoline;6-[(6-chloro-4-fluoro-3-pyridinyl)-(1H-imidazol-5-yl)methyl]quinoline;5-cyclopropyl-7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline;6-[1H-imidazol-5-yl-(5-methyl-3-pyridinyl)methyl]quinoline;6-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-1,3-benzoxazole;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-4,6-dimethylquinoline;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-2-methylquinoline;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]-8-methylquinoline-4-carboxylic acid;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]quinolin-5-ol;6-[1H-imidazol-5-yl(thiophen-2-yl)methyl]-8-methylquinoline (CID 158539279) is 4-chloro-2,6-difluoro-7-[1H-imidazol-5-yl-(5-methyl-2-pyridinyl)methyl]quinoline;6-[(6-chloro-4-fluoro-3-pyridinyl)-(1H-imidazol-5-yl)methyl]quinoline;5-cyclopropyl-7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline;6-[1H-imidazol-5-yl-(5-methyl-3-pyridinyl)methyl]quinoline;6-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-1,3-benzoxazole;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-4,6-dimethylquinoline;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-2-methylquinoline;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]-8-methylquinoline-4-carboxylic acid;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]quinolin-5-ol;6-[1H-imidazol-5-yl(thiophen-2-yl)methyl]-8-methylquinoline.
What is the SMILES notation for 4-chloro-2,6-difluoro-7-[1H-imidazol-5-yl-(5-methyl-2-pyridinyl)methyl]quinoline;6-[(6-chloro-4-fluoro-3-pyridinyl)-(1H-imidazol-5-yl)methyl]quinoline;5-cyclopropyl-7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline;6-[1H-imidazol-5-yl-(5-methyl-3-pyridinyl)methyl]quinoline;6-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-1,3-benzoxazole;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-4,6-dimethylquinoline;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-2-methylquinoline;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]-8-methylquinoline-4-carboxylic acid;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]quinolin-5-ol;6-[1H-imidazol-5-yl(thiophen-2-yl)methyl]-8-methylquinoline?
The canonical SMILES for 4-chloro-2,6-difluoro-7-[1H-imidazol-5-yl-(5-methyl-2-pyridinyl)methyl]quinoline;6-[(6-chloro-4-fluoro-3-pyridinyl)-(1H-imidazol-5-yl)methyl]quinoline;5-cyclopropyl-7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline;6-[1H-imidazol-5-yl-(5-methyl-3-pyridinyl)methyl]quinoline;6-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-1,3-benzoxazole;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-4,6-dimethylquinoline;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-2-methylquinoline;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]-8-methylquinoline-4-carboxylic acid;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]quinolin-5-ol;6-[1H-imidazol-5-yl(thiophen-2-yl)methyl]-8-methylquinoline is Cc1cc(C(c2cccnc2)c2cnc[nH]2)cc2c(C(=O)O)ccnc12.Cc1cc(C(c2cnc[nH]2)c2cccs2)cc2cccnc12.Cc1cc2c(C)ccnc2cc1C(c1ccccn1)c1cnc[nH]1.Cc1ccc(C(c2cnc[nH]2)c2cc3nc(F)cc(Cl)c3cc2F)nc1.Cc1ccc2ccc(C(c3ccccn3)c3cnc[nH]3)cc2n1.Cc1cncc(C(c2ccc3ncccc3c2)c2cnc[nH]2)c1.Fc1cc(Cl)ncc1C(c1ccc2ncccc2c1)c1cnc[nH]1.Oc1c(C(c2cccnc2)c2cnc[nH]2)ccc2ncccc12.c1ccc(C(c2cc(C3CC3)c3cccnc3c2)c2cnc[nH]2)nc1.c1ccc(C(c2ccc3ncoc3c2)c2cnc[nH]2)nc1.
What is the InChIKey of 4-chloro-2,6-difluoro-7-[1H-imidazol-5-yl-(5-methyl-2-pyridinyl)methyl]quinoline;6-[(6-chloro-4-fluoro-3-pyridinyl)-(1H-imidazol-5-yl)methyl]quinoline;5-cyclopropyl-7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline;6-[1H-imidazol-5-yl-(5-methyl-3-pyridinyl)methyl]quinoline;6-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-1,3-benzoxazole;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-4,6-dimethylquinoline;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-2-methylquinoline;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]-8-methylquinoline-4-carboxylic acid;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]quinolin-5-ol;6-[1H-imidazol-5-yl(thiophen-2-yl)methyl]-8-methylquinoline?
The InChIKey is HOHYYWFXUDNVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4.C20H16N4O2.C20H18N4.C19H13ClF2N4.2C19H16N4.C18H12ClFN4.C18H14N4O.C18H15N3S.C16H12N4O/c1-2-8-23-18(5-1)21(20-12-22-13-25-20)15-10-17(14-6-7-14)16-4-3-9-24-19(16)11-15;1-12-7-14(8-16-15(20(25)26)4-6-23-19(12)16)18(17-10-22-11-24-17)13-3-2-5-21-9-13;1-13-6-8-23-18-10-16(14(2)9-15(13)18)20(19-11-21-12-24-19)17-5-3-4-7-22-17;1-10-2-3-15(24-7-10)19(17-8-23-9-25-17)12-5-16-11(4-14(12)21)13(20)6-18(22)26-16;1-13-7-16(10-20-9-13)19(18-11-21-12-23-18)15-4-5-17-14(8-15)3-2-6-22-17;1-13-5-6-14-7-8-15(10-17(14)23-13)19(18-11-20-12-22-18)16-4-2-3-9-21-16;19-17-7-14(20)13(8-23-17)18(16-9-21-10-24-16)12-3-4-15-11(6-12)2-1-5-22-15;23-18-13-4-2-8-21-15(13)6-5-14(18)17(16-10-20-11-22-16)12-3-1-7-19-9-12;1-12-8-14(9-13-4-2-6-20-18(12)13)17(15-10-19-11-21-15)16-5-3-7-22-16;1-2-6-18-13(3-1)16(14-8-17-9-19-14)11-4-5-12-15(7-11)21-10-20-12/h1-5,8-14,21H,6-7H2,(H,22,25);2-11,18H,1H3,(H,22,24)(H,25,26);3-12,20H,1-2H3,(H,21,24);2-9,19H,1H3,(H,23,25);2-12,19H,1H3,(H,21,23);2-12,19H,1H3,(H,20,22);1-10,18H,(H,21,24);1-11,17,23H,(H,20,22);2-11,17H,1H3,(H,19,21);1-10,16H,(H,17,19).
What are the key properties of 4-chloro-2,6-difluoro-7-[1H-imidazol-5-yl-(5-methyl-2-pyridinyl)methyl]quinoline;6-[(6-chloro-4-fluoro-3-pyridinyl)-(1H-imidazol-5-yl)methyl]quinoline;5-cyclopropyl-7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline;6-[1H-imidazol-5-yl-(5-methyl-3-pyridinyl)methyl]quinoline;6-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-1,3-benzoxazole;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-4,6-dimethylquinoline;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-2-methylquinoline;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]-8-methylquinoline-4-carboxylic acid;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]quinolin-5-ol;6-[1H-imidazol-5-yl(thiophen-2-yl)methyl]-8-methylquinoline?
4-chloro-2,6-difluoro-7-[1H-imidazol-5-yl-(5-methyl-2-pyridinyl)methyl]quinoline;6-[(6-chloro-4-fluoro-3-pyridinyl)-(1H-imidazol-5-yl)methyl]quinoline;5-cyclopropyl-7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline;6-[1H-imidazol-5-yl-(5-methyl-3-pyridinyl)methyl]quinoline;6-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-1,3-benzoxazole;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-4,6-dimethylquinoline;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-2-methylquinoline;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]-8-methylquinoline-4-carboxylic acid;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]quinolin-5-ol;6-[1H-imidazol-5-yl(thiophen-2-yl)methyl]-8-methylquinoline has a molecular weight of 3179.50 g/mol, XLogP of 39.75, 32 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-difluoro-7-[1H-imidazol-5-yl-(5-methyl-2-pyridinyl)methyl]quinoline;6-[(6-chloro-4-fluoro-3-pyridinyl)-(1H-imidazol-5-yl)methyl]quinoline;5-cyclopropyl-7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline;6-[1H-imidazol-5-yl-(5-methyl-3-pyridinyl)methyl]quinoline;6-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-1,3-benzoxazole;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-4,6-dimethylquinoline;7-[1H-imidazol-5-yl(pyridin-2-yl)methyl]-2-methylquinoline;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]-8-methylquinoline-4-carboxylic acid;6-[1H-imidazol-5-yl(pyridin-3-yl)methyl]quinolin-5-ol;6-[1H-imidazol-5-yl(thiophen-2-yl)methyl]-8-methylquinoline is sourced from PubChem (CID 158539279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).