5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;4-fluoro-5-methyl-1H-benzimidazole;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;7-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;7-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;7-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;7-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline

C219H185F17N28O6S6 — CID 158269268

IUPAC5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;4-fluoro-5-methyl-1H-benzimidazole;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;7-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;7-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;7-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;7-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
SMILESCc1c(F)cc2ncccc2c1F.Cc1cc(F)c2ncccc2c1.Cc1cc(F)c2ncccc2c1F.Cc1cc2[nH]cnc2cc1F.Cc1cc2[nH]ncc2cc1F.Cc1cc2cccnc2cc1F.Cc1cc2ocnc2cc1F.Cc1cc2sccc2cc1F.Cc1cc2scnc2cc1F.Cc1ccc2[nH]cnc2c1F.Cc1ccc2c(c1)OCCO2.Cc1ccc2ccoc2c1.Cc1ccc2ccsc2c1.Cc1ccc2ccsc2c1F.Cc1ccc2cn[nH]c2c1.Cc1ccc2cn[nH]c2c1F.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncccc2c1.Cc1ccc2ncccc2c1F.Cc1ccc2nccnc2c1.Cc1ccc2ncncc2c1.Cc1ccc2ncoc2c1.Cc1ccc2ncoc2c1F.Cc1ccc2ncsc2c1.Cc1ccc2ncsc2c1F
InChIInChI=1S/2C10H7F2N.3C10H8FN.C10H9N.2C9H7FS.2C9H8N2.C9H10O2.C9H8O.C9H8S.4C8H7FN2.2C8H6FNO.2C8H6FNS.2C8H8N2.C8H7NO.C8H7NS/c1-6-8(11)5-9-7(10(6)12)3-2-4-13-9;1-6-5-8(11)10-7(9(6)12)3-2-4-13-10;1-7-4-5-9-8(10(7)11)3-2-6-12-9;1-7-5-8-3-2-4-12-10(8)6-9(7)11;1-7-5-8-3-2-4-12-10(8)9(11)6-7;1-8-4-5-10-9(7-8)3-2-6-11-10;1-6-4-9-7(2-3-11-9)5-8(6)10;1-6-2-3-7-4-5-11-9(7)8(6)10;1-7-2-3-9-8(4-7)5-10-6-11-9;2*1-7-2-3-8-9(6-7)11-5-4-10-8;2*1-7-2-3-8-4-5-10-9(8)6-7;1-5-2-7-8(3-6(5)9)11-4-10-7;1-5-2-8-6(3-7(5)9)4-10-11-8;1-5-2-3-6-8(7(5)9)11-4-10-6;1-5-2-3-6-4-10-11-8(6)7(5)9;1-5-2-8-7(3-6(5)9)10-4-11-8;1-5-2-3-6-8(7(5)9)11-4-10-6;1-5-2-8-7(3-6(5)9)10-4-11-8;1-5-2-3-6-8(7(5)9)11-4-10-6;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;2*1-6-2-3-7-8(4-6)10-5-9-7/h2*2-5H,1H3;3*2-6H,1H3;2-7H,1H3;2*2-5H,1H3;2*2-6H,1H3;2-3,6H,4-5H2,1H3;2*2-6H,1H3;4*2-4H,1H3,(H,10,11);4*2-4H,1H3;2*2-5H,1H3,(H,9,10);2*2-5H,1H3
InChIKeyGIVCRUTXCVLMSK-UHFFFAOYSA-N
MW3820.45 g/mol
LogP61.09
Rot. Bonds

About 5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;4-fluoro-5-methyl-1H-benzimidazole;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;7-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;7-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;7-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;7-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline

5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;4-fluoro-5-methyl-1H-benzimidazole;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;7-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;7-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;7-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;7-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline (PubChem CID 158269268) has the molecular formula C219H185F17N28O6S6 and a molecular weight of 3820.45 g/mol. Its IUPAC name is 5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;4-fluoro-5-methyl-1H-benzimidazole;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;7-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;7-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;7-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;7-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline.

Molecular Properties

Compound Name5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;4-fluoro-5-methyl-1H-benzimidazole;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;7-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;7-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;7-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;7-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
PubChem CID158269268
Molecular FormulaC219H185F17N28O6S6
Molecular Weight3820.45 g/mol
Exact Mass3817.31
IUPAC Name5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;4-fluoro-5-methyl-1H-benzimidazole;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;7-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;7-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;7-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;7-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
SMILESCc1c(F)cc2ncccc2c1F.Cc1cc(F)c2ncccc2c1.Cc1cc(F)c2ncccc2c1F.Cc1cc2[nH]cnc2cc1F.Cc1cc2[nH]ncc2cc1F.Cc1cc2cccnc2cc1F.Cc1cc2ocnc2cc1F.Cc1cc2sccc2cc1F.Cc1cc2scnc2cc1F.Cc1ccc2[nH]cnc2c1F.Cc1ccc2c(c1)OCCO2.Cc1ccc2ccoc2c1.Cc1ccc2ccsc2c1.Cc1ccc2ccsc2c1F.Cc1ccc2cn[nH]c2c1.Cc1ccc2cn[nH]c2c1F.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncccc2c1.Cc1ccc2ncccc2c1F.Cc1ccc2nccnc2c1.Cc1ccc2ncncc2c1.Cc1ccc2ncoc2c1.Cc1ccc2ncoc2c1F.Cc1ccc2ncsc2c1.Cc1ccc2ncsc2c1F
InChIInChI=1S/2C10H7F2N.3C10H8FN.C10H9N.2C9H7FS.2C9H8N2.C9H10O2.C9H8O.C9H8S.4C8H7FN2.2C8H6FNO.2C8H6FNS.2C8H8N2.C8H7NO.C8H7NS/c1-6-8(11)5-9-7(10(6)12)3-2-4-13-9;1-6-5-8(11)10-7(9(6)12)3-2-4-13-10;1-7-4-5-9-8(10(7)11)3-2-6-12-9;1-7-5-8-3-2-4-12-10(8)6-9(7)11;1-7-5-8-3-2-4-12-10(8)9(11)6-7;1-8-4-5-10-9(7-8)3-2-6-11-10;1-6-4-9-7(2-3-11-9)5-8(6)10;1-6-2-3-7-4-5-11-9(7)8(6)10;1-7-2-3-9-8(4-7)5-10-6-11-9;2*1-7-2-3-8-9(6-7)11-5-4-10-8;2*1-7-2-3-8-4-5-10-9(8)6-7;1-5-2-7-8(3-6(5)9)11-4-10-7;1-5-2-8-6(3-7(5)9)4-10-11-8;1-5-2-3-6-8(7(5)9)11-4-10-6;1-5-2-3-6-4-10-11-8(6)7(5)9;1-5-2-8-7(3-6(5)9)10-4-11-8;1-5-2-3-6-8(7(5)9)11-4-10-6;1-5-2-8-7(3-6(5)9)10-4-11-8;1-5-2-3-6-8(7(5)9)11-4-10-6;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;2*1-6-2-3-7-8(4-6)10-5-9-7/h2*2-5H,1H3;3*2-6H,1H3;2-7H,1H3;2*2-5H,1H3;2*2-6H,1H3;2-3,6H,4-5H2,1H3;2*2-6H,1H3;4*2-4H,1H3,(H,10,11);4*2-4H,1H3;2*2-5H,1H3,(H,9,10);2*2-5H,1H3
InChIKeyGIVCRUTXCVLMSK-UHFFFAOYSA-N
XLogP61.09
TPSA449.34 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003820.45
LogP ≤ 561.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Analyze 5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;4-fluoro-5-methyl-1H-benzimidazole;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;7-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;7-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;7-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;7-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene
CID 157050189
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157243093
4-tert-butyl-2-methyl-1,3-thiazole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,2-dimethylbenzimidazole;2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-4-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-oxazole;5-methyl-1-phenyltetrazole;2-methyl-4-phenyl-1,3-thiazole;2-methyl-5-phenyl-1,3-thiazole;4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)methyl]morpholine;5-methyl-3-phenyl-1H-1,2,4-triazole;2-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazole;2-methyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-1,3-thiazole;4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 157257748
3-tert-butylbenzenesulfonamide;6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-3-fluoro-5-methoxybenzene;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene
CID 157261216
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;ethane;furan;bis(1H-indole);1-methoxy-4-methylbenzene;1-methylimidazole;1-methylindole;bis(1-methylpiperidine);5-methylpyrimidine;morpholine;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine
CID 157327103
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline
CID 157427896
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,6-dimethyl-2H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-6-fluoro-3-methyl-2H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157437972
benzene;1,3-benzodioxole;tris(1-benzothiophene);bis(cyclopenta-1,3-diene);2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;ethane;furan;bis(1H-indole);methane;1-methylimidazole;1-methylindole;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;bis(piperidine);pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thieno[3,2-c]pyridine;1,2,4-triazine;1,3,5-triazine
CID 157505301
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;dibenzofuran;dibenzothiophene;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;ethane;9H-fluorene;furan;bis(1H-indole);1-methylimidazole;1-methylindole;morpholine;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;triazine;1,3,5-triazine
CID 157518381
N-(1,5-dimethylbenzimidazol-2-yl)acetamide;N-(1,5-dimethylbenzimidazol-2-yl)methanesulfonamide;1,3-dimethyl-5-(trifluoromethyl)benzene;5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;N-(6-methyl-1H-benzimidazol-2-yl)acetamide;N-(6-methyl-1H-benzimidazol-2-yl)methanesulfonamide;6-methyl-1,2-benzothiazole;N-(5-methyl-1,3-benzothiazol-2-yl)acetamide;N-(5-methyl-1,3-benzothiazol-2-yl)methanesulfonamide;6-methyl-1,2-benzoxazole;N-(5-methyl-1,3-benzoxazol-2-yl)acetamide;N-(5-methyl-1,3-benzoxazol-2-yl)methanesulfonamide;2-methylfuro[2,3-b]pyridine;3-methyl-2H-indazole;6-methyl-1H-indazole;3-methyl-1,5-naphthyridine;2-methyl-1H-pyrrolo[2,3-b]pyridine;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2-methylthieno[2,3-b]pyridine
CID 157645993
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,6-dimethyl-2H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-6-fluoro-3-methyl-2H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;5-tert-butyl-2-methyl-1,3-benzoxazole;8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 158027328
5-(azepan-1-ylmethyl)-2-methyl-1,3-thiazole;4-tert-butyl-2-methyl-1,3-thiazole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,2-dimethylbenzimidazole;2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-4-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-oxazole;5-methyl-1-phenyltetrazole;2-methyl-4-phenyl-1,3-thiazole;2-methyl-5-phenyl-1,3-thiazole;4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)methyl]morpholine;5-methyl-3-phenyl-1H-1,2,4-triazole;2-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazole;2-methyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-1,3-thiazole;4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 158180810

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;4-fluoro-5-methyl-1H-benzimidazole;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;7-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;7-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;7-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;7-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline?
The IUPAC name of 5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;4-fluoro-5-methyl-1H-benzimidazole;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;7-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;7-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;7-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;7-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline (CID 158269268) is 5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;4-fluoro-5-methyl-1H-benzimidazole;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;7-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;7-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;7-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;7-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline.
What is the SMILES notation for 5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;4-fluoro-5-methyl-1H-benzimidazole;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;7-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;7-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;7-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;7-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline?
The canonical SMILES for 5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;4-fluoro-5-methyl-1H-benzimidazole;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;7-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;7-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;7-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;7-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline is Cc1c(F)cc2ncccc2c1F.Cc1cc(F)c2ncccc2c1.Cc1cc(F)c2ncccc2c1F.Cc1cc2[nH]cnc2cc1F.Cc1cc2[nH]ncc2cc1F.Cc1cc2cccnc2cc1F.Cc1cc2ocnc2cc1F.Cc1cc2sccc2cc1F.Cc1cc2scnc2cc1F.Cc1ccc2[nH]cnc2c1F.Cc1ccc2c(c1)OCCO2.Cc1ccc2ccoc2c1.Cc1ccc2ccsc2c1.Cc1ccc2ccsc2c1F.Cc1ccc2cn[nH]c2c1.Cc1ccc2cn[nH]c2c1F.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncccc2c1.Cc1ccc2ncccc2c1F.Cc1ccc2nccnc2c1.Cc1ccc2ncncc2c1.Cc1ccc2ncoc2c1.Cc1ccc2ncoc2c1F.Cc1ccc2ncsc2c1.Cc1ccc2ncsc2c1F.
What is the InChIKey of 5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;4-fluoro-5-methyl-1H-benzimidazole;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;7-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;7-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;7-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;7-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline?
The InChIKey is GIVCRUTXCVLMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H7F2N.3C10H8FN.C10H9N.2C9H7FS.2C9H8N2.C9H10O2.C9H8O.C9H8S.4C8H7FN2.2C8H6FNO.2C8H6FNS.2C8H8N2.C8H7NO.C8H7NS/c1-6-8(11)5-9-7(10(6)12)3-2-4-13-9;1-6-5-8(11)10-7(9(6)12)3-2-4-13-10;1-7-4-5-9-8(10(7)11)3-2-6-12-9;1-7-5-8-3-2-4-12-10(8)6-9(7)11;1-7-5-8-3-2-4-12-10(8)9(11)6-7;1-8-4-5-10-9(7-8)3-2-6-11-10;1-6-4-9-7(2-3-11-9)5-8(6)10;1-6-2-3-7-4-5-11-9(7)8(6)10;1-7-2-3-9-8(4-7)5-10-6-11-9;2*1-7-2-3-8-9(6-7)11-5-4-10-8;2*1-7-2-3-8-4-5-10-9(8)6-7;1-5-2-7-8(3-6(5)9)11-4-10-7;1-5-2-8-6(3-7(5)9)4-10-11-8;1-5-2-3-6-8(7(5)9)11-4-10-6;1-5-2-3-6-4-10-11-8(6)7(5)9;1-5-2-8-7(3-6(5)9)10-4-11-8;1-5-2-3-6-8(7(5)9)11-4-10-6;1-5-2-8-7(3-6(5)9)10-4-11-8;1-5-2-3-6-8(7(5)9)11-4-10-6;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;2*1-6-2-3-7-8(4-6)10-5-9-7/h2*2-5H,1H3;3*2-6H,1H3;2-7H,1H3;2*2-5H,1H3;2*2-6H,1H3;2-3,6H,4-5H2,1H3;2*2-6H,1H3;4*2-4H,1H3,(H,10,11);4*2-4H,1H3;2*2-5H,1H3,(H,9,10);2*2-5H,1H3.
What are the key properties of 5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;4-fluoro-5-methyl-1H-benzimidazole;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;7-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;7-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;7-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;7-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline?
5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;4-fluoro-5-methyl-1H-benzimidazole;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;7-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;7-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;7-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;7-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline has a molecular weight of 3820.45 g/mol, XLogP of 61.09, 0 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;4-fluoro-5-methyl-1H-benzimidazole;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;7-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;7-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;7-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;7-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline is sourced from PubChem (CID 158269268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).