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

C231H273Cl4F5N16O6 — CID 158088265

IUPAC1-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
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)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CC=C2.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c3c(ccnc13)CCO2.CC(C)c1ccc2occc2c1.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2cccnc12.CC(C)c1cccc2cccnc12.CC(C)c1ccccn1.CC(C)n1ccccc1=O.Cc1cc(C(C)C)c(C)c2c1OCCC2.Cc1ccc(C(C)C)nc1.Cc1ccc2ccc(C)c(C(C)C)c2n1
InChIInChI=1S/C14H15NO.C14H17N.C14H20O.C13H12F3N.2C12H12FN.2C12H13N.C12H16O.C12H14.C11H13N.C11H14O.C11H12O.2C10H12N2.C9H10Cl2.C9H11Cl.C9H13N.C8H10ClN.C8H11NO.C8H11N/c1-9(2)11-3-4-12-13-10(6-8-16-12)5-7-15-14(11)13;1-9(2)13-10(3)5-7-12-8-6-11(4)15-14(12)13;1-9(2)13-8-10(3)14-12(11(13)4)6-5-7-15-14;1-8(2)9-5-6-11(13(14,15)16)10-4-3-7-17-12(9)10;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;1-9(2)11-7-6-10-4-3-5-12(10)8-11;3*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*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;1-6(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/h3-5,7,9H,6,8H2,1-2H3;5-9H,1-4H3;8-9H,5-7H2,1-4H3;3-8H,1-2H3;2*3-8H,1-2H3;2*3-9H,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;3-4,6-9H,5H2,1-2H3;3-8,12H,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3,(H,11,12);3-6H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;3-7H,1-2H3
InChIKeyFNTWFDUMHYKWND-UHFFFAOYSA-N
MW3606.63 g/mol
LogP67.17
Rot. Bonds21

About 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

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 (PubChem CID 158088265) has the molecular formula C231H273Cl4F5N16O6 and a molecular weight of 3606.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID158088265
Molecular FormulaC231H273Cl4F5N16O6
Molecular Weight3606.63 g/mol
Exact Mass3602.02
IUPAC Name1-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
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)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CC=C2.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c3c(ccnc13)CCO2.CC(C)c1ccc2occc2c1.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2cccnc12.CC(C)c1cccc2cccnc12.CC(C)c1ccccn1.CC(C)n1ccccc1=O.Cc1cc(C(C)C)c(C)c2c1OCCC2.Cc1ccc(C(C)C)nc1.Cc1ccc2ccc(C)c(C(C)C)c2n1
InChIInChI=1S/C14H15NO.C14H17N.C14H20O.C13H12F3N.2C12H12FN.2C12H13N.C12H16O.C12H14.C11H13N.C11H14O.C11H12O.2C10H12N2.C9H10Cl2.C9H11Cl.C9H13N.C8H10ClN.C8H11NO.C8H11N/c1-9(2)11-3-4-12-13-10(6-8-16-12)5-7-15-14(11)13;1-9(2)13-10(3)5-7-12-8-6-11(4)15-14(12)13;1-9(2)13-8-10(3)14-12(11(13)4)6-5-7-15-14;1-8(2)9-5-6-11(13(14,15)16)10-4-3-7-17-12(9)10;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;1-9(2)11-7-6-10-4-3-5-12(10)8-11;3*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*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;1-6(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/h3-5,7,9H,6,8H2,1-2H3;5-9H,1-4H3;8-9H,5-7H2,1-4H3;3-8H,1-2H3;2*3-8H,1-2H3;2*3-9H,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;3-4,6-9H,5H2,1-2H3;3-8,12H,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3,(H,11,12);3-6H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;3-7H,1-2H3
InChIKeyFNTWFDUMHYKWND-UHFFFAOYSA-N
XLogP67.17
TPSA274.11 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms262
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003606.63
LogP ≤ 567.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

1-[3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-5-methoxyphenyl]-2-(3-methylphenyl)ethanone;N-[3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-4-methylphenyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide;1-[3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-4-methylphenyl]-2-(3-methylphenyl)ethanone;1-[3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 157996213
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
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
2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)pyrazin-2-yl]benzamide
CID 158571618
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;methane;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;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;3-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;6-propan-2-ylquinoline;bis(8-propan-2-ylquinoline);2-propan-2-ylthiophene;3-propan-2-ylthiophene;8-propan-2-yl-5-(trifluoromethyl)quinoline
CID 158620072
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
N-[3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methoxy]-4-methylphenyl]-3-methylbenzamide;4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethylamino)phenyl]-3-(trifluoromethyl)benzamide;1-[3-methoxy-5-[(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 160403598
CID 160498773
CID 160498773
3-[4-[4-[5-(4-chlorophenyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-5-isocyano-1H-indole;3-[3-[4-[5-(4-chlorophenyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-5-isocyano-1H-indole;3-[4-[4-[5-(2,4-difluorophenyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-5-isocyano-1H-indole;3-[3-[4-[5-(2,4-difluorophenyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-5-isocyano-1H-indole;3-[3-[4-[5-(4-fluoro-2-methoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-5-isocyano-1H-indole;3-[4-[4-[5-(4-fluoro-2-methylphenyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-5-isocyano-1H-indole;4-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide;4-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide
CID 160722965
N-[3-(2-amino-3H-benzimidazol-5-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[3-[(1R)-1-aminoethyl]phenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-(3-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;4-(difluoromethoxy)-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 160834082

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CC=C2.CC(C)c1ccc2c(c1)CCCO2.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c3c(ccnc13)CCO2.CC(C)c1ccc2occc2c1.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2cccnc12.CC(C)c1cccc2cccnc12.CC(C)c1ccccn1.CC(C)n1ccccc1=O.Cc1cc(C(C)C)c(C)c2c1OCCC2.Cc1ccc(C(C)C)nc1.Cc1ccc2ccc(C)c(C(C)C)c2n1.
What is the InChIKey of 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?
The InChIKey is FNTWFDUMHYKWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO.C14H17N.C14H20O.C13H12F3N.2C12H12FN.2C12H13N.C12H16O.C12H14.C11H13N.C11H14O.C11H12O.2C10H12N2.C9H10Cl2.C9H11Cl.C9H13N.C8H10ClN.C8H11NO.C8H11N/c1-9(2)11-3-4-12-13-10(6-8-16-12)5-7-15-14(11)13;1-9(2)13-10(3)5-7-12-8-6-11(4)15-14(12)13;1-9(2)13-8-10(3)14-12(11(13)4)6-5-7-15-14;1-8(2)9-5-6-11(13(14,15)16)10-4-3-7-17-12(9)10;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;1-9(2)11-7-6-10-4-3-5-12(10)8-11;3*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*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;1-6(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/h3-5,7,9H,6,8H2,1-2H3;5-9H,1-4H3;8-9H,5-7H2,1-4H3;3-8H,1-2H3;2*3-8H,1-2H3;2*3-9H,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;3-4,6-9H,5H2,1-2H3;3-8,12H,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3,(H,11,12);3-6H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;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;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?
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 has a molecular weight of 3606.63 g/mol, XLogP of 67.17, 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;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 is sourced from PubChem (CID 158088265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).