1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-fluoro-2-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;4-methyl-7-propan-2-yl-1H-benzimidazole;5-methyl-2-propan-2-ylpyridine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;12-propan-2-yl-7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline

C231H271Cl4F7N16O6 — CID 158104173

IUPAC1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-fluoro-2-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;4-methyl-7-propan-2-yl-1H-benzimidazole;5-methyl-2-propan-2-ylpyridine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;12-propan-2-yl-7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline
SMILESCC(C)c1cc(F)cc2cccnc12.CC(C)c1ccc(C(F)(F)F)c2cccnc12.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)c2cccnc12.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c3c(cccc13)CCO2.CC(C)c1ccc2c3c(ccnc13)COC2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2cccnc12.CC(C)c1cccc2cccnc12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)n1ccccc1=O.Cc1c(C(C)C)cc(F)c2c1CCCO2.Cc1ccc(C(C)C)c2[nH]cnc12.Cc1ccc(C(C)C)nc1.Cc1ccc2ccc(F)c(C(C)C)c2n1
InChIInChI=1S/C15H16O.C14H15NO.C13H12F3N.C13H14FN.C13H17FO.2C12H12FN.2C12H13N.C12H16O.C11H14N2.C11H13N.C11H14O.C10H12N2.C9H10Cl2.C9H11Cl.C9H13N.C9H12.C8H10ClN.C8H11NO.C8H11N/c1-10(2)12-6-7-14-15-11(8-9-16-14)4-3-5-13(12)15;1-9(2)12-4-3-10-7-16-8-11-5-6-15-14(12)13(10)11;1-8(2)9-5-6-11(13(14,15)16)10-4-3-7-17-12(9)10;1-8(2)12-11(14)7-6-10-5-4-9(3)15-13(10)12;1-8(2)11-7-12(14)13-10(9(11)3)5-4-6-15-13;1-8(2)9-5-6-11(13)10-4-3-7-14-12(9)10;1-8(2)11-7-10(13)6-9-4-3-5-14-12(9)11;2*1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-7(2)9-5-4-8(3)10-11(9)13-6-12-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-3-5-9(10)6-4-8;1-7(2)9-5-4-8(3)6-10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-3-7(9)5-10-8;1-7(2)9-6-4-3-5-8(9)10;1-7(2)8-5-3-4-6-9-8/h3-7,10H,8-9H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-8H,1-2H3;4-8H,1-3H3;7-8H,4-6H2,1-3H3;2*3-8H,1-2H3;2*3-9H,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;4-7H,1-3H3,(H,12,13);3-8,12H,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-7H,1-2H3,(H,11,12);3-6H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-7H,1-2H3
InChIKeyFPQBGFCZBAYBIN-UHFFFAOYSA-N
MW3642.61 g/mol
LogP67.01
Rot. Bonds21

About 1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-fluoro-2-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;4-methyl-7-propan-2-yl-1H-benzimidazole;5-methyl-2-propan-2-ylpyridine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;12-propan-2-yl-7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline

1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-fluoro-2-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;4-methyl-7-propan-2-yl-1H-benzimidazole;5-methyl-2-propan-2-ylpyridine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;12-propan-2-yl-7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline (PubChem CID 158104173) has the molecular formula C231H271Cl4F7N16O6 and a molecular weight of 3642.61 g/mol. Its IUPAC name is 1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-fluoro-2-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;4-methyl-7-propan-2-yl-1H-benzimidazole;5-methyl-2-propan-2-ylpyridine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;12-propan-2-yl-7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-fluoro-2-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;4-methyl-7-propan-2-yl-1H-benzimidazole;5-methyl-2-propan-2-ylpyridine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;12-propan-2-yl-7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline
PubChem CID158104173
Molecular FormulaC231H271Cl4F7N16O6
Molecular Weight3642.61 g/mol
Exact Mass3638.00
IUPAC Name1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-fluoro-2-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;4-methyl-7-propan-2-yl-1H-benzimidazole;5-methyl-2-propan-2-ylpyridine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;12-propan-2-yl-7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline
SMILESCC(C)c1cc(F)cc2cccnc12.CC(C)c1ccc(C(F)(F)F)c2cccnc12.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)c2cccnc12.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c3c(cccc13)CCO2.CC(C)c1ccc2c3c(ccnc13)COC2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2cccnc12.CC(C)c1cccc2cccnc12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)n1ccccc1=O.Cc1c(C(C)C)cc(F)c2c1CCCO2.Cc1ccc(C(C)C)c2[nH]cnc12.Cc1ccc(C(C)C)nc1.Cc1ccc2ccc(F)c(C(C)C)c2n1
InChIInChI=1S/C15H16O.C14H15NO.C13H12F3N.C13H14FN.C13H17FO.2C12H12FN.2C12H13N.C12H16O.C11H14N2.C11H13N.C11H14O.C10H12N2.C9H10Cl2.C9H11Cl.C9H13N.C9H12.C8H10ClN.C8H11NO.C8H11N/c1-10(2)12-6-7-14-15-11(8-9-16-14)4-3-5-13(12)15;1-9(2)12-4-3-10-7-16-8-11-5-6-15-14(12)13(10)11;1-8(2)9-5-6-11(13(14,15)16)10-4-3-7-17-12(9)10;1-8(2)12-11(14)7-6-10-5-4-9(3)15-13(10)12;1-8(2)11-7-12(14)13-10(9(11)3)5-4-6-15-13;1-8(2)9-5-6-11(13)10-4-3-7-14-12(9)10;1-8(2)11-7-10(13)6-9-4-3-5-14-12(9)11;2*1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-7(2)9-5-4-8(3)10-11(9)13-6-12-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-3-5-9(10)6-4-8;1-7(2)9-5-4-8(3)6-10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-3-7(9)5-10-8;1-7(2)9-6-4-3-5-8(9)10;1-7(2)8-5-3-4-6-9-8/h3-7,10H,8-9H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-8H,1-2H3;4-8H,1-3H3;7-8H,4-6H2,1-3H3;2*3-8H,1-2H3;2*3-9H,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;4-7H,1-3H3,(H,12,13);3-8,12H,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-7H,1-2H3,(H,11,12);3-6H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-7H,1-2H3
InChIKeyFPQBGFCZBAYBIN-UHFFFAOYSA-N
XLogP67.01
TPSA270.20 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003642.61
LogP ≤ 567.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-fluoro-2-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;4-methyl-7-propan-2-yl-1H-benzimidazole;5-methyl-2-propan-2-ylpyridine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;12-propan-2-yl-7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline with MolForge

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Related Compounds

1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;2,4-dichloro-1-propan-2-ylbenzene;5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene;2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indene;5-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline
CID 158088265
1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-fluoro-2-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;bis(10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene);2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline
CID 158112888
2-tert-butyl-1-benzofuran;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,3-difluorobenzene;1-tert-butyl-2,5-difluoro-4-methylbenzene;1-tert-butyl-2-ethoxybenzene;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butylquinoline;[3-(4-fluoro-2-methylphenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;[8-methyl-3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;(2-methylphenyl)-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 158234678
N-[3,3-bis(4-fluorophenyl)propyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-(naphthalen-1-ylmethyl)-3-pyrazin-2-ylpyrrolidine-1-carboxamide;N-[2-(4-phenylphenyl)ethyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide;3-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide;3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide;3-pyridin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 158831727
1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,7-dimethyl-8-propan-2-ylquinoline;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline
CID 159569791
1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene;2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline
CID 160175049
CID 160498773
CID 160498773
1-butyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;methane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methylidene-1-propan-2-ylpiperazine;6-methyl-2-propan-2-yl-1H-benzimidazole;3-methyl-2-propan-2-ylfuran;bis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-yl-1H-pyrimidin-6-one;4-phenyl-2-propan-2-yl-1H-pyrimidin-6-one;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;bis(2-propan-2-ylpyrimidine);8-propan-2-ylquinoline;1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 161087555
1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-fluoro-2-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;5-methyl-2-propan-2-ylpyridine;6-methyl-8-propan-2-ylquinoline;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline
CID 161421236
1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-fluoro-2-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;methane;5-methyl-2-propan-2-ylpyridine;6-methyl-8-propan-2-ylquinoline;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline
CID 161649856
6-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-indol-2-yl)but-1-enyl]-2-pyridinyl]oxy]hex-1-en-3-one;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide
CID 164031806
1-[7-[4-chloro-2-[3-[2-[3-[7-[4-chloro-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-prop-2-enoyl-3,4-dihydro-2H-quinolin-3-yl]pyrrolidin-1-yl]ethoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 146410970

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-fluoro-2-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;4-methyl-7-propan-2-yl-1H-benzimidazole;5-methyl-2-propan-2-ylpyridine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;12-propan-2-yl-7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline?
The IUPAC name of 1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-fluoro-2-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;4-methyl-7-propan-2-yl-1H-benzimidazole;5-methyl-2-propan-2-ylpyridine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;12-propan-2-yl-7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline (CID 158104173) is 1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-fluoro-2-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;4-methyl-7-propan-2-yl-1H-benzimidazole;5-methyl-2-propan-2-ylpyridine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;12-propan-2-yl-7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline.
What is the SMILES notation for 1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-fluoro-2-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;4-methyl-7-propan-2-yl-1H-benzimidazole;5-methyl-2-propan-2-ylpyridine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;12-propan-2-yl-7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline?
The canonical SMILES for 1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-fluoro-2-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;4-methyl-7-propan-2-yl-1H-benzimidazole;5-methyl-2-propan-2-ylpyridine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;12-propan-2-yl-7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline is CC(C)c1cc(F)cc2cccnc12.CC(C)c1ccc(C(F)(F)F)c2cccnc12.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)c2cccnc12.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c3c(cccc13)CCO2.CC(C)c1ccc2c3c(ccnc13)COC2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2cccnc12.CC(C)c1cccc2cccnc12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)n1ccccc1=O.Cc1c(C(C)C)cc(F)c2c1CCCO2.Cc1ccc(C(C)C)c2[nH]cnc12.Cc1ccc(C(C)C)nc1.Cc1ccc2ccc(F)c(C(C)C)c2n1.
What is the InChIKey of 1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-fluoro-2-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;4-methyl-7-propan-2-yl-1H-benzimidazole;5-methyl-2-propan-2-ylpyridine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;12-propan-2-yl-7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline?
The InChIKey is FPQBGFCZBAYBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O.C14H15NO.C13H12F3N.C13H14FN.C13H17FO.2C12H12FN.2C12H13N.C12H16O.C11H14N2.C11H13N.C11H14O.C10H12N2.C9H10Cl2.C9H11Cl.C9H13N.C9H12.C8H10ClN.C8H11NO.C8H11N/c1-10(2)12-6-7-14-15-11(8-9-16-14)4-3-5-13(12)15;1-9(2)12-4-3-10-7-16-8-11-5-6-15-14(12)13(10)11;1-8(2)9-5-6-11(13(14,15)16)10-4-3-7-17-12(9)10;1-8(2)12-11(14)7-6-10-5-4-9(3)15-13(10)12;1-8(2)11-7-12(14)13-10(9(11)3)5-4-6-15-13;1-8(2)9-5-6-11(13)10-4-3-7-14-12(9)10;1-8(2)11-7-10(13)6-9-4-3-5-14-12(9)11;2*1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-7(2)9-5-4-8(3)10-11(9)13-6-12-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-3-5-9(10)6-4-8;1-7(2)9-5-4-8(3)6-10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-3-7(9)5-10-8;1-7(2)9-6-4-3-5-8(9)10;1-7(2)8-5-3-4-6-9-8/h3-7,10H,8-9H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-8H,1-2H3;4-8H,1-3H3;7-8H,4-6H2,1-3H3;2*3-8H,1-2H3;2*3-9H,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;4-7H,1-3H3,(H,12,13);3-8,12H,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-7H,1-2H3,(H,11,12);3-6H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-7H,1-2H3.
What are the key properties of 1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-fluoro-2-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;4-methyl-7-propan-2-yl-1H-benzimidazole;5-methyl-2-propan-2-ylpyridine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;12-propan-2-yl-7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline?
1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-fluoro-2-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;4-methyl-7-propan-2-yl-1H-benzimidazole;5-methyl-2-propan-2-ylpyridine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;12-propan-2-yl-7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline has a molecular weight of 3642.61 g/mol, XLogP of 67.01, 21 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-fluoro-2-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;4-methyl-7-propan-2-yl-1H-benzimidazole;5-methyl-2-propan-2-ylpyridine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;12-propan-2-yl-7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline is sourced from PubChem (CID 158104173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).