5-chloro-6-methylquinoline;5,7-dichloro-6-methylquinoline;5,7-difluoro-2,6-dimethylquinoline;4,6-difluoro-5-methyl-1H-benzimidazole;5,7-difluoro-6-methyl-1,3-benzothiazole;5,7-difluoro-6-methyl-1-benzothiophene;4,6-difluoro-5-methyl-2H-benzotriazole;5,7-difluoro-6-methyl-1,3-benzoxazole;5,7-difluoro-6-methyl-1H-indazole;5,7-difluoro-6-methyl-1H-quinolin-2-one;1,6-dimethylbenzimidazole;1,6-dimethylbenzotriazole;1,6-dimethylindazole;5-fluoro-1,6-dimethylindazole;5-fluoro-2,6-dimethylquinoline;4-fluoro-5-methyl-2H-benzotriazole;5-fluoro-6-methyl-2H-benzotriazole;5-fluoro-6-methyl-1H-quinolin-2-one;5-methyl-2H-benzotriazole;6-methyl-1H-quinolin-2-one

C176H148Cl3F21N34O4S2 — CID 159398713

IUPAC5-chloro-6-methylquinoline;5,7-dichloro-6-methylquinoline;5,7-difluoro-2,6-dimethylquinoline;4,6-difluoro-5-methyl-1H-benzimidazole;5,7-difluoro-6-methyl-1,3-benzothiazole;5,7-difluoro-6-methyl-1-benzothiophene;4,6-difluoro-5-methyl-2H-benzotriazole;5,7-difluoro-6-methyl-1,3-benzoxazole;5,7-difluoro-6-methyl-1H-indazole;5,7-difluoro-6-methyl-1H-quinolin-2-one;1,6-dimethylbenzimidazole;1,6-dimethylbenzotriazole;1,6-dimethylindazole;5-fluoro-1,6-dimethylindazole;5-fluoro-2,6-dimethylquinoline;4-fluoro-5-methyl-2H-benzotriazole;5-fluoro-6-methyl-2H-benzotriazole;5-fluoro-6-methyl-1H-quinolin-2-one;5-methyl-2H-benzotriazole;6-methyl-1H-quinolin-2-one
SMILESCc1c(Cl)cc2ncccc2c1Cl.Cc1c(F)cc2[nH]c(=O)ccc2c1F.Cc1c(F)cc2[nH]cnc2c1F.Cc1c(F)cc2ccsc2c1F.Cc1c(F)cc2cn[nH]c2c1F.Cc1c(F)cc2n[nH]nc2c1F.Cc1c(F)cc2ncoc2c1F.Cc1c(F)cc2ncsc2c1F.Cc1cc2c(cnn2C)cc1F.Cc1cc2n[nH]nc2cc1F.Cc1ccc2[nH]c(=O)ccc2c1.Cc1ccc2[nH]c(=O)ccc2c1F.Cc1ccc2c(F)c(C)c(F)cc2n1.Cc1ccc2c(F)c(C)ccc2n1.Cc1ccc2cnn(C)c2c1.Cc1ccc2n[nH]nc2c1.Cc1ccc2n[nH]nc2c1F.Cc1ccc2ncccc2c1Cl.Cc1ccc2ncn(C)c2c1.Cc1ccc2nnn(C)c2c1
InChIInChI=1S/C11H9F2N.C11H10FN.C10H7Cl2N.C10H8ClN.C10H7F2NO.C10H8FNO.C10H9NO.C9H6F2S.C9H9FN2.2C9H10N2.2C8H6F2N2.C8H5F2NO.C8H5F2NS.C8H9N3.C7H5F2N3.2C7H6FN3.C7H7N3/c1-6-3-4-8-10(14-6)5-9(12)7(2)11(8)13;1-7-3-6-10-9(11(7)12)5-4-8(2)13-10;1-6-8(11)5-9-7(10(6)12)3-2-4-13-9;1-7-4-5-9-8(10(7)11)3-2-6-12-9;1-5-7(11)4-8-6(10(5)12)2-3-9(14)13-8;1-6-2-4-8-7(10(6)11)3-5-9(13)12-8;1-7-2-4-9-8(6-7)3-5-10(12)11-9;1-5-7(10)4-6-2-3-12-9(6)8(5)11;1-6-3-9-7(4-8(6)10)5-11-12(9)2;1-7-3-4-8-9(5-7)11(2)6-10-8;1-7-3-4-8-6-10-11(2)9(8)5-7;1-4-5(9)2-6-8(7(4)10)12-3-11-6;1-4-6(9)2-5-3-11-12-8(5)7(4)10;2*1-4-5(9)2-6-8(7(4)10)12-3-11-6;1-6-3-4-7-8(5-6)11(2)10-9-7;1-3-4(8)2-5-7(6(3)9)11-12-10-5;1-4-2-6-7(3-5(4)8)10-11-9-6;1-4-2-3-5-7(6(4)8)10-11-9-5;1-5-2-3-6-7(4-5)9-10-8-6/h3-5H,1-2H3;3-6H,1-2H3;2-5H,1H3;2-6H,1H3;2-4H,1H3,(H,13,14);2-5H,1H3,(H,12,13);2-6H,1H3,(H,11,12);2-4H,1H3;3-5H,1-2H3;2*3-6H,1-2H3;2*2-3H,1H3,(H,11,12);2*2-3H,1H3;3-5H,1-2H3;2H,1H3,(H,10,11,12);2*2-3H,1H3,(H,9,10,11);2-4H,1H3,(H,8,9,10)
InChIKeyLNBHPXXVDGMIPP-UHFFFAOYSA-N
MW3372.80 g/mol
LogP44.86
Rot. Bonds

About 5-chloro-6-methylquinoline;5,7-dichloro-6-methylquinoline;5,7-difluoro-2,6-dimethylquinoline;4,6-difluoro-5-methyl-1H-benzimidazole;5,7-difluoro-6-methyl-1,3-benzothiazole;5,7-difluoro-6-methyl-1-benzothiophene;4,6-difluoro-5-methyl-2H-benzotriazole;5,7-difluoro-6-methyl-1,3-benzoxazole;5,7-difluoro-6-methyl-1H-indazole;5,7-difluoro-6-methyl-1H-quinolin-2-one;1,6-dimethylbenzimidazole;1,6-dimethylbenzotriazole;1,6-dimethylindazole;5-fluoro-1,6-dimethylindazole;5-fluoro-2,6-dimethylquinoline;4-fluoro-5-methyl-2H-benzotriazole;5-fluoro-6-methyl-2H-benzotriazole;5-fluoro-6-methyl-1H-quinolin-2-one;5-methyl-2H-benzotriazole;6-methyl-1H-quinolin-2-one

5-chloro-6-methylquinoline;5,7-dichloro-6-methylquinoline;5,7-difluoro-2,6-dimethylquinoline;4,6-difluoro-5-methyl-1H-benzimidazole;5,7-difluoro-6-methyl-1,3-benzothiazole;5,7-difluoro-6-methyl-1-benzothiophene;4,6-difluoro-5-methyl-2H-benzotriazole;5,7-difluoro-6-methyl-1,3-benzoxazole;5,7-difluoro-6-methyl-1H-indazole;5,7-difluoro-6-methyl-1H-quinolin-2-one;1,6-dimethylbenzimidazole;1,6-dimethylbenzotriazole;1,6-dimethylindazole;5-fluoro-1,6-dimethylindazole;5-fluoro-2,6-dimethylquinoline;4-fluoro-5-methyl-2H-benzotriazole;5-fluoro-6-methyl-2H-benzotriazole;5-fluoro-6-methyl-1H-quinolin-2-one;5-methyl-2H-benzotriazole;6-methyl-1H-quinolin-2-one (PubChem CID 159398713) has the molecular formula C176H148Cl3F21N34O4S2 and a molecular weight of 3372.80 g/mol. Its IUPAC name is 5-chloro-6-methylquinoline;5,7-dichloro-6-methylquinoline;5,7-difluoro-2,6-dimethylquinoline;4,6-difluoro-5-methyl-1H-benzimidazole;5,7-difluoro-6-methyl-1,3-benzothiazole;5,7-difluoro-6-methyl-1-benzothiophene;4,6-difluoro-5-methyl-2H-benzotriazole;5,7-difluoro-6-methyl-1,3-benzoxazole;5,7-difluoro-6-methyl-1H-indazole;5,7-difluoro-6-methyl-1H-quinolin-2-one;1,6-dimethylbenzimidazole;1,6-dimethylbenzotriazole;1,6-dimethylindazole;5-fluoro-1,6-dimethylindazole;5-fluoro-2,6-dimethylquinoline;4-fluoro-5-methyl-2H-benzotriazole;5-fluoro-6-methyl-2H-benzotriazole;5-fluoro-6-methyl-1H-quinolin-2-one;5-methyl-2H-benzotriazole;6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name5-chloro-6-methylquinoline;5,7-dichloro-6-methylquinoline;5,7-difluoro-2,6-dimethylquinoline;4,6-difluoro-5-methyl-1H-benzimidazole;5,7-difluoro-6-methyl-1,3-benzothiazole;5,7-difluoro-6-methyl-1-benzothiophene;4,6-difluoro-5-methyl-2H-benzotriazole;5,7-difluoro-6-methyl-1,3-benzoxazole;5,7-difluoro-6-methyl-1H-indazole;5,7-difluoro-6-methyl-1H-quinolin-2-one;1,6-dimethylbenzimidazole;1,6-dimethylbenzotriazole;1,6-dimethylindazole;5-fluoro-1,6-dimethylindazole;5-fluoro-2,6-dimethylquinoline;4-fluoro-5-methyl-2H-benzotriazole;5-fluoro-6-methyl-2H-benzotriazole;5-fluoro-6-methyl-1H-quinolin-2-one;5-methyl-2H-benzotriazole;6-methyl-1H-quinolin-2-one
PubChem CID159398713
Molecular FormulaC176H148Cl3F21N34O4S2
Molecular Weight3372.80 g/mol
Exact Mass3369.06
IUPAC Name5-chloro-6-methylquinoline;5,7-dichloro-6-methylquinoline;5,7-difluoro-2,6-dimethylquinoline;4,6-difluoro-5-methyl-1H-benzimidazole;5,7-difluoro-6-methyl-1,3-benzothiazole;5,7-difluoro-6-methyl-1-benzothiophene;4,6-difluoro-5-methyl-2H-benzotriazole;5,7-difluoro-6-methyl-1,3-benzoxazole;5,7-difluoro-6-methyl-1H-indazole;5,7-difluoro-6-methyl-1H-quinolin-2-one;1,6-dimethylbenzimidazole;1,6-dimethylbenzotriazole;1,6-dimethylindazole;5-fluoro-1,6-dimethylindazole;5-fluoro-2,6-dimethylquinoline;4-fluoro-5-methyl-2H-benzotriazole;5-fluoro-6-methyl-2H-benzotriazole;5-fluoro-6-methyl-1H-quinolin-2-one;5-methyl-2H-benzotriazole;6-methyl-1H-quinolin-2-one
SMILESCc1c(Cl)cc2ncccc2c1Cl.Cc1c(F)cc2[nH]c(=O)ccc2c1F.Cc1c(F)cc2[nH]cnc2c1F.Cc1c(F)cc2ccsc2c1F.Cc1c(F)cc2cn[nH]c2c1F.Cc1c(F)cc2n[nH]nc2c1F.Cc1c(F)cc2ncoc2c1F.Cc1c(F)cc2ncsc2c1F.Cc1cc2c(cnn2C)cc1F.Cc1cc2n[nH]nc2cc1F.Cc1ccc2[nH]c(=O)ccc2c1.Cc1ccc2[nH]c(=O)ccc2c1F.Cc1ccc2c(F)c(C)c(F)cc2n1.Cc1ccc2c(F)c(C)ccc2n1.Cc1ccc2cnn(C)c2c1.Cc1ccc2n[nH]nc2c1.Cc1ccc2n[nH]nc2c1F.Cc1ccc2ncccc2c1Cl.Cc1ccc2ncn(C)c2c1.Cc1ccc2nnn(C)c2c1
InChIInChI=1S/C11H9F2N.C11H10FN.C10H7Cl2N.C10H8ClN.C10H7F2NO.C10H8FNO.C10H9NO.C9H6F2S.C9H9FN2.2C9H10N2.2C8H6F2N2.C8H5F2NO.C8H5F2NS.C8H9N3.C7H5F2N3.2C7H6FN3.C7H7N3/c1-6-3-4-8-10(14-6)5-9(12)7(2)11(8)13;1-7-3-6-10-9(11(7)12)5-4-8(2)13-10;1-6-8(11)5-9-7(10(6)12)3-2-4-13-9;1-7-4-5-9-8(10(7)11)3-2-6-12-9;1-5-7(11)4-8-6(10(5)12)2-3-9(14)13-8;1-6-2-4-8-7(10(6)11)3-5-9(13)12-8;1-7-2-4-9-8(6-7)3-5-10(12)11-9;1-5-7(10)4-6-2-3-12-9(6)8(5)11;1-6-3-9-7(4-8(6)10)5-11-12(9)2;1-7-3-4-8-9(5-7)11(2)6-10-8;1-7-3-4-8-6-10-11(2)9(8)5-7;1-4-5(9)2-6-8(7(4)10)12-3-11-6;1-4-6(9)2-5-3-11-12-8(5)7(4)10;2*1-4-5(9)2-6-8(7(4)10)12-3-11-6;1-6-3-4-7-8(5-6)11(2)10-9-7;1-3-4(8)2-5-7(6(3)9)11-12-10-5;1-4-2-6-7(3-5(4)8)10-11-9-6;1-4-2-3-5-7(6(4)8)10-11-9-5;1-5-2-3-6-7(4-5)9-10-8-6/h3-5H,1-2H3;3-6H,1-2H3;2-5H,1H3;2-6H,1H3;2-4H,1H3,(H,13,14);2-5H,1H3,(H,12,13);2-6H,1H3,(H,11,12);2-4H,1H3;3-5H,1-2H3;2*3-6H,1-2H3;2*2-3H,1H3,(H,11,12);2*2-3H,1H3;3-5H,1-2H3;2H,1H3,(H,10,11,12);2*2-3H,1H3,(H,9,10,11);2-4H,1H3,(H,8,9,10)
InChIKeyLNBHPXXVDGMIPP-UHFFFAOYSA-N
XLogP44.86
TPSA496.87 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003372.80
LogP ≤ 544.86
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Analyze 5-chloro-6-methylquinoline;5,7-dichloro-6-methylquinoline;5,7-difluoro-2,6-dimethylquinoline;4,6-difluoro-5-methyl-1H-benzimidazole;5,7-difluoro-6-methyl-1,3-benzothiazole;5,7-difluoro-6-methyl-1-benzothiophene;4,6-difluoro-5-methyl-2H-benzotriazole;5,7-difluoro-6-methyl-1,3-benzoxazole;5,7-difluoro-6-methyl-1H-indazole;5,7-difluoro-6-methyl-1H-quinolin-2-one;1,6-dimethylbenzimidazole;1,6-dimethylbenzotriazole;1,6-dimethylindazole;5-fluoro-1,6-dimethylindazole;5-fluoro-2,6-dimethylquinoline;4-fluoro-5-methyl-2H-benzotriazole;5-fluoro-6-methyl-2H-benzotriazole;5-fluoro-6-methyl-1H-quinolin-2-one;5-methyl-2H-benzotriazole;6-methyl-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

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
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;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;6-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;3-tert-butyl-1-methylindazole;6-tert-butyl-3-methyl-2H-indazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 159447135
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;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;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;bis(3-tert-butyl-1-methylindazole);7-tert-butyl-6-methyl-1H-indazole;8-tert-butyl-1H-quinolin-2-one;bis(5-tert-butyl-1,2,3,4-tetrahydroquinoline)
CID 160722416
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;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-6-fluoro-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;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;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 161482828
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;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;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 161817177
2-chloro-3-fluoro-4-propan-2-ylpyridine;4-chloro-2-methyl-1-propan-2-ylbenzene;3-chloro-5-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1H-pyridin-2-one;5-cyclohexyl-4-propan-2-yl-1H-pyrazole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,5-difluoro-2-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;3,4-difluoro-5-propan-2-ylphenol;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzotriazole;4-methyl-5-propan-2-yl-1,3-oxazole;4-methyl-2-propan-2-ylpyridine;2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole;4-propan-2-ylcinnoline;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-(4-propan-2-ylphenyl)pyridine;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine
CID 162282062
1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;cinnoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;1H-imidazo[4,5-b]pyridine;1H-indazole;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydrobenzo[g]quinoline;1,2,3,4-tetrahydrocinnoline;1,2,3,4-tetrahydroquinazoline;bis(1,2,3,4-tetrahydroquinoline)
CID 157055905
5-propan-2-yl-2H-benzimidazole;6-propan-2-yl-1H-benzimidazole;bis(5-propan-2-yl-2,1,3-benzothiadiazole);bis(6-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzoxazole);bis(6-propan-2-yl-2,3-dihydro-1-benzothiophene);7-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 157160459
4-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;4-methyl-1-benzofuran;7-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyl-1-benzothiophene;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;4-methyl-1,3-benzoxazole;3-methyl-2H-indazole;bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole);6-methyl-1H-indole;2-methylthieno[2,3-b]pyridine;4-methylthieno[2,3-c]pyridine
CID 157221558
3-chloro-5-methylpyridine;2,6-dimethylpyridazin-3-one;1,5-dimethylpyridin-2-one;3-fluoro-5-methylpyridine;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;6-methylimidazo[1,2-b]pyridazine;5-methyl-3H-indole;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methylnaphthalene;2-methyl-1,5-naphthyridine;3-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methylpyrido[2,3-c]pyridazine;2-methylpyrido[3,2-d]pyrimidine;5-methylpyrimidine;6-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;6-methyltetrazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;toluene
CID 157266785
4-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;4-methyl-1-benzofuran;7-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyl-1-benzothiophene;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;4-methyl-1,3-benzoxazole;3-methyl-2H-indazole;bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole);2-methylthieno[2,3-b]pyridine;4-methylthieno[2,3-c]pyridine
CID 157336788
methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1-benzothiophene;7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 157445870

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methylquinoline;5,7-dichloro-6-methylquinoline;5,7-difluoro-2,6-dimethylquinoline;4,6-difluoro-5-methyl-1H-benzimidazole;5,7-difluoro-6-methyl-1,3-benzothiazole;5,7-difluoro-6-methyl-1-benzothiophene;4,6-difluoro-5-methyl-2H-benzotriazole;5,7-difluoro-6-methyl-1,3-benzoxazole;5,7-difluoro-6-methyl-1H-indazole;5,7-difluoro-6-methyl-1H-quinolin-2-one;1,6-dimethylbenzimidazole;1,6-dimethylbenzotriazole;1,6-dimethylindazole;5-fluoro-1,6-dimethylindazole;5-fluoro-2,6-dimethylquinoline;4-fluoro-5-methyl-2H-benzotriazole;5-fluoro-6-methyl-2H-benzotriazole;5-fluoro-6-methyl-1H-quinolin-2-one;5-methyl-2H-benzotriazole;6-methyl-1H-quinolin-2-one?
The IUPAC name of 5-chloro-6-methylquinoline;5,7-dichloro-6-methylquinoline;5,7-difluoro-2,6-dimethylquinoline;4,6-difluoro-5-methyl-1H-benzimidazole;5,7-difluoro-6-methyl-1,3-benzothiazole;5,7-difluoro-6-methyl-1-benzothiophene;4,6-difluoro-5-methyl-2H-benzotriazole;5,7-difluoro-6-methyl-1,3-benzoxazole;5,7-difluoro-6-methyl-1H-indazole;5,7-difluoro-6-methyl-1H-quinolin-2-one;1,6-dimethylbenzimidazole;1,6-dimethylbenzotriazole;1,6-dimethylindazole;5-fluoro-1,6-dimethylindazole;5-fluoro-2,6-dimethylquinoline;4-fluoro-5-methyl-2H-benzotriazole;5-fluoro-6-methyl-2H-benzotriazole;5-fluoro-6-methyl-1H-quinolin-2-one;5-methyl-2H-benzotriazole;6-methyl-1H-quinolin-2-one (CID 159398713) is 5-chloro-6-methylquinoline;5,7-dichloro-6-methylquinoline;5,7-difluoro-2,6-dimethylquinoline;4,6-difluoro-5-methyl-1H-benzimidazole;5,7-difluoro-6-methyl-1,3-benzothiazole;5,7-difluoro-6-methyl-1-benzothiophene;4,6-difluoro-5-methyl-2H-benzotriazole;5,7-difluoro-6-methyl-1,3-benzoxazole;5,7-difluoro-6-methyl-1H-indazole;5,7-difluoro-6-methyl-1H-quinolin-2-one;1,6-dimethylbenzimidazole;1,6-dimethylbenzotriazole;1,6-dimethylindazole;5-fluoro-1,6-dimethylindazole;5-fluoro-2,6-dimethylquinoline;4-fluoro-5-methyl-2H-benzotriazole;5-fluoro-6-methyl-2H-benzotriazole;5-fluoro-6-methyl-1H-quinolin-2-one;5-methyl-2H-benzotriazole;6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 5-chloro-6-methylquinoline;5,7-dichloro-6-methylquinoline;5,7-difluoro-2,6-dimethylquinoline;4,6-difluoro-5-methyl-1H-benzimidazole;5,7-difluoro-6-methyl-1,3-benzothiazole;5,7-difluoro-6-methyl-1-benzothiophene;4,6-difluoro-5-methyl-2H-benzotriazole;5,7-difluoro-6-methyl-1,3-benzoxazole;5,7-difluoro-6-methyl-1H-indazole;5,7-difluoro-6-methyl-1H-quinolin-2-one;1,6-dimethylbenzimidazole;1,6-dimethylbenzotriazole;1,6-dimethylindazole;5-fluoro-1,6-dimethylindazole;5-fluoro-2,6-dimethylquinoline;4-fluoro-5-methyl-2H-benzotriazole;5-fluoro-6-methyl-2H-benzotriazole;5-fluoro-6-methyl-1H-quinolin-2-one;5-methyl-2H-benzotriazole;6-methyl-1H-quinolin-2-one?
The canonical SMILES for 5-chloro-6-methylquinoline;5,7-dichloro-6-methylquinoline;5,7-difluoro-2,6-dimethylquinoline;4,6-difluoro-5-methyl-1H-benzimidazole;5,7-difluoro-6-methyl-1,3-benzothiazole;5,7-difluoro-6-methyl-1-benzothiophene;4,6-difluoro-5-methyl-2H-benzotriazole;5,7-difluoro-6-methyl-1,3-benzoxazole;5,7-difluoro-6-methyl-1H-indazole;5,7-difluoro-6-methyl-1H-quinolin-2-one;1,6-dimethylbenzimidazole;1,6-dimethylbenzotriazole;1,6-dimethylindazole;5-fluoro-1,6-dimethylindazole;5-fluoro-2,6-dimethylquinoline;4-fluoro-5-methyl-2H-benzotriazole;5-fluoro-6-methyl-2H-benzotriazole;5-fluoro-6-methyl-1H-quinolin-2-one;5-methyl-2H-benzotriazole;6-methyl-1H-quinolin-2-one is Cc1c(Cl)cc2ncccc2c1Cl.Cc1c(F)cc2[nH]c(=O)ccc2c1F.Cc1c(F)cc2[nH]cnc2c1F.Cc1c(F)cc2ccsc2c1F.Cc1c(F)cc2cn[nH]c2c1F.Cc1c(F)cc2n[nH]nc2c1F.Cc1c(F)cc2ncoc2c1F.Cc1c(F)cc2ncsc2c1F.Cc1cc2c(cnn2C)cc1F.Cc1cc2n[nH]nc2cc1F.Cc1ccc2[nH]c(=O)ccc2c1.Cc1ccc2[nH]c(=O)ccc2c1F.Cc1ccc2c(F)c(C)c(F)cc2n1.Cc1ccc2c(F)c(C)ccc2n1.Cc1ccc2cnn(C)c2c1.Cc1ccc2n[nH]nc2c1.Cc1ccc2n[nH]nc2c1F.Cc1ccc2ncccc2c1Cl.Cc1ccc2ncn(C)c2c1.Cc1ccc2nnn(C)c2c1.
What is the InChIKey of 5-chloro-6-methylquinoline;5,7-dichloro-6-methylquinoline;5,7-difluoro-2,6-dimethylquinoline;4,6-difluoro-5-methyl-1H-benzimidazole;5,7-difluoro-6-methyl-1,3-benzothiazole;5,7-difluoro-6-methyl-1-benzothiophene;4,6-difluoro-5-methyl-2H-benzotriazole;5,7-difluoro-6-methyl-1,3-benzoxazole;5,7-difluoro-6-methyl-1H-indazole;5,7-difluoro-6-methyl-1H-quinolin-2-one;1,6-dimethylbenzimidazole;1,6-dimethylbenzotriazole;1,6-dimethylindazole;5-fluoro-1,6-dimethylindazole;5-fluoro-2,6-dimethylquinoline;4-fluoro-5-methyl-2H-benzotriazole;5-fluoro-6-methyl-2H-benzotriazole;5-fluoro-6-methyl-1H-quinolin-2-one;5-methyl-2H-benzotriazole;6-methyl-1H-quinolin-2-one?
The InChIKey is LNBHPXXVDGMIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N.C11H10FN.C10H7Cl2N.C10H8ClN.C10H7F2NO.C10H8FNO.C10H9NO.C9H6F2S.C9H9FN2.2C9H10N2.2C8H6F2N2.C8H5F2NO.C8H5F2NS.C8H9N3.C7H5F2N3.2C7H6FN3.C7H7N3/c1-6-3-4-8-10(14-6)5-9(12)7(2)11(8)13;1-7-3-6-10-9(11(7)12)5-4-8(2)13-10;1-6-8(11)5-9-7(10(6)12)3-2-4-13-9;1-7-4-5-9-8(10(7)11)3-2-6-12-9;1-5-7(11)4-8-6(10(5)12)2-3-9(14)13-8;1-6-2-4-8-7(10(6)11)3-5-9(13)12-8;1-7-2-4-9-8(6-7)3-5-10(12)11-9;1-5-7(10)4-6-2-3-12-9(6)8(5)11;1-6-3-9-7(4-8(6)10)5-11-12(9)2;1-7-3-4-8-9(5-7)11(2)6-10-8;1-7-3-4-8-6-10-11(2)9(8)5-7;1-4-5(9)2-6-8(7(4)10)12-3-11-6;1-4-6(9)2-5-3-11-12-8(5)7(4)10;2*1-4-5(9)2-6-8(7(4)10)12-3-11-6;1-6-3-4-7-8(5-6)11(2)10-9-7;1-3-4(8)2-5-7(6(3)9)11-12-10-5;1-4-2-6-7(3-5(4)8)10-11-9-6;1-4-2-3-5-7(6(4)8)10-11-9-5;1-5-2-3-6-7(4-5)9-10-8-6/h3-5H,1-2H3;3-6H,1-2H3;2-5H,1H3;2-6H,1H3;2-4H,1H3,(H,13,14);2-5H,1H3,(H,12,13);2-6H,1H3,(H,11,12);2-4H,1H3;3-5H,1-2H3;2*3-6H,1-2H3;2*2-3H,1H3,(H,11,12);2*2-3H,1H3;3-5H,1-2H3;2H,1H3,(H,10,11,12);2*2-3H,1H3,(H,9,10,11);2-4H,1H3,(H,8,9,10).
What are the key properties of 5-chloro-6-methylquinoline;5,7-dichloro-6-methylquinoline;5,7-difluoro-2,6-dimethylquinoline;4,6-difluoro-5-methyl-1H-benzimidazole;5,7-difluoro-6-methyl-1,3-benzothiazole;5,7-difluoro-6-methyl-1-benzothiophene;4,6-difluoro-5-methyl-2H-benzotriazole;5,7-difluoro-6-methyl-1,3-benzoxazole;5,7-difluoro-6-methyl-1H-indazole;5,7-difluoro-6-methyl-1H-quinolin-2-one;1,6-dimethylbenzimidazole;1,6-dimethylbenzotriazole;1,6-dimethylindazole;5-fluoro-1,6-dimethylindazole;5-fluoro-2,6-dimethylquinoline;4-fluoro-5-methyl-2H-benzotriazole;5-fluoro-6-methyl-2H-benzotriazole;5-fluoro-6-methyl-1H-quinolin-2-one;5-methyl-2H-benzotriazole;6-methyl-1H-quinolin-2-one?
5-chloro-6-methylquinoline;5,7-dichloro-6-methylquinoline;5,7-difluoro-2,6-dimethylquinoline;4,6-difluoro-5-methyl-1H-benzimidazole;5,7-difluoro-6-methyl-1,3-benzothiazole;5,7-difluoro-6-methyl-1-benzothiophene;4,6-difluoro-5-methyl-2H-benzotriazole;5,7-difluoro-6-methyl-1,3-benzoxazole;5,7-difluoro-6-methyl-1H-indazole;5,7-difluoro-6-methyl-1H-quinolin-2-one;1,6-dimethylbenzimidazole;1,6-dimethylbenzotriazole;1,6-dimethylindazole;5-fluoro-1,6-dimethylindazole;5-fluoro-2,6-dimethylquinoline;4-fluoro-5-methyl-2H-benzotriazole;5-fluoro-6-methyl-2H-benzotriazole;5-fluoro-6-methyl-1H-quinolin-2-one;5-methyl-2H-benzotriazole;6-methyl-1H-quinolin-2-one has a molecular weight of 3372.80 g/mol, XLogP of 44.86, 0 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methylquinoline;5,7-dichloro-6-methylquinoline;5,7-difluoro-2,6-dimethylquinoline;4,6-difluoro-5-methyl-1H-benzimidazole;5,7-difluoro-6-methyl-1,3-benzothiazole;5,7-difluoro-6-methyl-1-benzothiophene;4,6-difluoro-5-methyl-2H-benzotriazole;5,7-difluoro-6-methyl-1,3-benzoxazole;5,7-difluoro-6-methyl-1H-indazole;5,7-difluoro-6-methyl-1H-quinolin-2-one;1,6-dimethylbenzimidazole;1,6-dimethylbenzotriazole;1,6-dimethylindazole;5-fluoro-1,6-dimethylindazole;5-fluoro-2,6-dimethylquinoline;4-fluoro-5-methyl-2H-benzotriazole;5-fluoro-6-methyl-2H-benzotriazole;5-fluoro-6-methyl-1H-quinolin-2-one;5-methyl-2H-benzotriazole;6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 159398713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).