4-bromo-3-propan-2-ylisoquinoline;2-chloro-4-fluoro-1-propan-2-ylbenzene;5-chloro-1-methyl-3-propan-2-ylpyridin-2-one;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;4,6-dimethyl-3-propan-2-ylpyridazine;3,4-dimethyl-2-propan-2-ylpyridine;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-ethyl-3-propan-2-ylpyridin-2-one;5-fluoro-2-methoxy-3-propan-2-ylpyridine;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;2-methyl-3-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-2H-chromene;8-propan-2-yl-3,4-dihydro-1H-isochromene

C223H300BrCl4F13N26O14S — CID 158436535

IUPAC4-bromo-3-propan-2-ylisoquinoline;2-chloro-4-fluoro-1-propan-2-ylbenzene;5-chloro-1-methyl-3-propan-2-ylpyridin-2-one;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;4,6-dimethyl-3-propan-2-ylpyridazine;3,4-dimethyl-2-propan-2-ylpyridine;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-ethyl-3-propan-2-ylpyridin-2-one;5-fluoro-2-methoxy-3-propan-2-ylpyridine;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;2-methyl-3-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-2H-chromene;8-propan-2-yl-3,4-dihydro-1H-isochromene
SMILESCC(C)c1c(Cl)cc(F)cc1Cl.CC(C)c1cc(Cl)cn(C)c1=O.CC(C)c1cc(F)c(F)cc1OC1CC1.CC(C)c1cc(F)cn(C)c1=O.CC(C)c1cc2cnccc2n(C)c1=O.CC(C)c1ccc(F)cc1Cl.CC(C)c1cccc2c1COCC2.CC(C)c1cccc2c1OCCC2.CC(C)c1cccc2scnc12.CC(C)c1cn(C)nc1C(F)(F)F.CC(C)c1ncc2ccccc2c1Br.CC(C)c1nccn(C)c1=O.CCn1cccc(C(C)C)c1=O.COc1cc(F)cnc1C(C)C.COc1ccn(C)c(=O)c1C(C)C.COc1ncc(F)cc1C(C)C.Cc1c(C(C)C)c(C(F)(F)F)nn1C.Cc1cc(C(C)C)c(=O)n(C)c1.Cc1cc(C)c(C(C)C)nn1.Cc1ccn(C)c(=O)c1C(C)C.Cc1ccnc(C(C)C)c1C.Cc1nccnc1C(C)C.Cc1nn(C)nc1C(C)C
InChIInChI=1S/C12H12BrN.C12H14F2O.C12H14N2O.2C12H16O.C10H15NO2.3C10H15NO.C10H11NS.C10H15N.C9H9Cl2F.C9H10ClF.C9H12ClNO.C9H13F3N2.3C9H12FNO.C9H14N2.C8H11F3N2.C8H12N2O.C8H12N2.C7H13N3/c1-8(2)12-11(13)10-6-4-3-5-9(10)7-14-12;1-7(2)9-5-10(13)11(14)6-12(9)15-8-3-4-8;1-8(2)10-6-9-7-13-5-4-11(9)14(3)12(10)15;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-7(2)9-8(13-4)5-6-11(3)10(9)12;1-7(2)9-5-8(3)6-11(4)10(9)12;1-7(2)9-8(3)5-6-11(4)10(9)12;1-4-11-7-5-6-9(8(2)3)10(11)12;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)10-9(4)8(3)5-6-11-10;1-5(2)9-7(10)3-6(12)4-8(9)11;1-6(2)8-4-3-7(11)5-9(8)10;1-6(2)8-4-7(10)5-11(3)9(8)12;1-5(2)7-6(3)14(4)13-8(7)9(10,11)12;1-6(2)9-8(12-3)4-7(10)5-11-9;1-6(2)8-4-7(10)5-11-9(8)12-3;1-6(2)8-4-7(10)5-11(3)9(8)12;1-6(2)9-7(3)5-8(4)10-11-9;1-5(2)6-4-13(3)12-7(6)8(9,10)11;1-6(2)7-8(11)10(3)5-4-9-7;1-6(2)8-7(3)9-4-5-10-8;1-5(2)7-6(3)8-10(4)9-7/h3-8H,1-2H3;5-8H,3-4H2,1-2H3;4-8H,1-3H3;3,5,7,9H,4,6,8H2,1-2H3;3-5,9H,6-8H2,1-2H3;5-7H,1-4H3;2*5-7H,1-4H3;5-8H,4H2,1-3H3;3-7H,1-2H3;5-7H,1-4H3;3-5H,1-2H3;3-6H,1-2H3;4-6H,1-3H3;5H,1-4H3;3*4-6H,1-3H3;5-6H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;5H,1-4H3
InChIKeyHCHHVGLVWBTHEV-UHFFFAOYSA-N
MW4069.78 g/mol
LogP57.29
Rot. Bonds29

About 4-bromo-3-propan-2-ylisoquinoline;2-chloro-4-fluoro-1-propan-2-ylbenzene;5-chloro-1-methyl-3-propan-2-ylpyridin-2-one;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;4,6-dimethyl-3-propan-2-ylpyridazine;3,4-dimethyl-2-propan-2-ylpyridine;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-ethyl-3-propan-2-ylpyridin-2-one;5-fluoro-2-methoxy-3-propan-2-ylpyridine;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;2-methyl-3-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-2H-chromene;8-propan-2-yl-3,4-dihydro-1H-isochromene

4-bromo-3-propan-2-ylisoquinoline;2-chloro-4-fluoro-1-propan-2-ylbenzene;5-chloro-1-methyl-3-propan-2-ylpyridin-2-one;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;4,6-dimethyl-3-propan-2-ylpyridazine;3,4-dimethyl-2-propan-2-ylpyridine;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-ethyl-3-propan-2-ylpyridin-2-one;5-fluoro-2-methoxy-3-propan-2-ylpyridine;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;2-methyl-3-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-2H-chromene;8-propan-2-yl-3,4-dihydro-1H-isochromene (PubChem CID 158436535) has the molecular formula C223H300BrCl4F13N26O14S and a molecular weight of 4069.78 g/mol. Its IUPAC name is 4-bromo-3-propan-2-ylisoquinoline;2-chloro-4-fluoro-1-propan-2-ylbenzene;5-chloro-1-methyl-3-propan-2-ylpyridin-2-one;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;4,6-dimethyl-3-propan-2-ylpyridazine;3,4-dimethyl-2-propan-2-ylpyridine;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-ethyl-3-propan-2-ylpyridin-2-one;5-fluoro-2-methoxy-3-propan-2-ylpyridine;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;2-methyl-3-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-2H-chromene;8-propan-2-yl-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name4-bromo-3-propan-2-ylisoquinoline;2-chloro-4-fluoro-1-propan-2-ylbenzene;5-chloro-1-methyl-3-propan-2-ylpyridin-2-one;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;4,6-dimethyl-3-propan-2-ylpyridazine;3,4-dimethyl-2-propan-2-ylpyridine;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-ethyl-3-propan-2-ylpyridin-2-one;5-fluoro-2-methoxy-3-propan-2-ylpyridine;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;2-methyl-3-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-2H-chromene;8-propan-2-yl-3,4-dihydro-1H-isochromene
PubChem CID158436535
Molecular FormulaC223H300BrCl4F13N26O14S
Molecular Weight4069.78 g/mol
Exact Mass4064.10
IUPAC Name4-bromo-3-propan-2-ylisoquinoline;2-chloro-4-fluoro-1-propan-2-ylbenzene;5-chloro-1-methyl-3-propan-2-ylpyridin-2-one;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;4,6-dimethyl-3-propan-2-ylpyridazine;3,4-dimethyl-2-propan-2-ylpyridine;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-ethyl-3-propan-2-ylpyridin-2-one;5-fluoro-2-methoxy-3-propan-2-ylpyridine;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;2-methyl-3-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-2H-chromene;8-propan-2-yl-3,4-dihydro-1H-isochromene
SMILESCC(C)c1c(Cl)cc(F)cc1Cl.CC(C)c1cc(Cl)cn(C)c1=O.CC(C)c1cc(F)c(F)cc1OC1CC1.CC(C)c1cc(F)cn(C)c1=O.CC(C)c1cc2cnccc2n(C)c1=O.CC(C)c1ccc(F)cc1Cl.CC(C)c1cccc2c1COCC2.CC(C)c1cccc2c1OCCC2.CC(C)c1cccc2scnc12.CC(C)c1cn(C)nc1C(F)(F)F.CC(C)c1ncc2ccccc2c1Br.CC(C)c1nccn(C)c1=O.CCn1cccc(C(C)C)c1=O.COc1cc(F)cnc1C(C)C.COc1ccn(C)c(=O)c1C(C)C.COc1ncc(F)cc1C(C)C.Cc1c(C(C)C)c(C(F)(F)F)nn1C.Cc1cc(C(C)C)c(=O)n(C)c1.Cc1cc(C)c(C(C)C)nn1.Cc1ccn(C)c(=O)c1C(C)C.Cc1ccnc(C(C)C)c1C.Cc1nccnc1C(C)C.Cc1nn(C)nc1C(C)C
InChIInChI=1S/C12H12BrN.C12H14F2O.C12H14N2O.2C12H16O.C10H15NO2.3C10H15NO.C10H11NS.C10H15N.C9H9Cl2F.C9H10ClF.C9H12ClNO.C9H13F3N2.3C9H12FNO.C9H14N2.C8H11F3N2.C8H12N2O.C8H12N2.C7H13N3/c1-8(2)12-11(13)10-6-4-3-5-9(10)7-14-12;1-7(2)9-5-10(13)11(14)6-12(9)15-8-3-4-8;1-8(2)10-6-9-7-13-5-4-11(9)14(3)12(10)15;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-7(2)9-8(13-4)5-6-11(3)10(9)12;1-7(2)9-5-8(3)6-11(4)10(9)12;1-7(2)9-8(3)5-6-11(4)10(9)12;1-4-11-7-5-6-9(8(2)3)10(11)12;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)10-9(4)8(3)5-6-11-10;1-5(2)9-7(10)3-6(12)4-8(9)11;1-6(2)8-4-3-7(11)5-9(8)10;1-6(2)8-4-7(10)5-11(3)9(8)12;1-5(2)7-6(3)14(4)13-8(7)9(10,11)12;1-6(2)9-8(12-3)4-7(10)5-11-9;1-6(2)8-4-7(10)5-11-9(8)12-3;1-6(2)8-4-7(10)5-11(3)9(8)12;1-6(2)9-7(3)5-8(4)10-11-9;1-5(2)6-4-13(3)12-7(6)8(9,10)11;1-6(2)7-8(11)10(3)5-4-9-7;1-6(2)8-7(3)9-4-5-10-8;1-5(2)7-6(3)8-10(4)9-7/h3-8H,1-2H3;5-8H,3-4H2,1-2H3;4-8H,1-3H3;3,5,7,9H,4,6,8H2,1-2H3;3-5,9H,6-8H2,1-2H3;5-7H,1-4H3;2*5-7H,1-4H3;5-8H,4H2,1-3H3;3-7H,1-2H3;5-7H,1-4H3;3-5H,1-2H3;3-6H,1-2H3;4-6H,1-3H3;5H,1-4H3;3*4-6H,1-3H3;5-6H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;5H,1-4H3
InChIKeyHCHHVGLVWBTHEV-UHFFFAOYSA-N
XLogP57.29
TPSA439.52 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds29
Heavy Atoms282
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004069.78
LogP ≤ 557.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Analyze 4-bromo-3-propan-2-ylisoquinoline;2-chloro-4-fluoro-1-propan-2-ylbenzene;5-chloro-1-methyl-3-propan-2-ylpyridin-2-one;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;4,6-dimethyl-3-propan-2-ylpyridazine;3,4-dimethyl-2-propan-2-ylpyridine;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-ethyl-3-propan-2-ylpyridin-2-one;5-fluoro-2-methoxy-3-propan-2-ylpyridine;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;2-methyl-3-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-2H-chromene;8-propan-2-yl-3,4-dihydro-1H-isochromene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-propan-2-ylisoquinoline;2-chloro-4-fluoro-1-propan-2-ylbenzene;5-chloro-1-methyl-3-propan-2-ylpyridin-2-one;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;4,6-dimethyl-3-propan-2-ylpyridazine;3,4-dimethyl-2-propan-2-ylpyridine;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-ethyl-3-propan-2-ylpyridin-2-one;5-fluoro-2-methoxy-3-propan-2-ylpyridine;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;2-methyl-3-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-2H-chromene;8-propan-2-yl-3,4-dihydro-1H-isochromene?
The IUPAC name of 4-bromo-3-propan-2-ylisoquinoline;2-chloro-4-fluoro-1-propan-2-ylbenzene;5-chloro-1-methyl-3-propan-2-ylpyridin-2-one;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;4,6-dimethyl-3-propan-2-ylpyridazine;3,4-dimethyl-2-propan-2-ylpyridine;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-ethyl-3-propan-2-ylpyridin-2-one;5-fluoro-2-methoxy-3-propan-2-ylpyridine;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;2-methyl-3-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-2H-chromene;8-propan-2-yl-3,4-dihydro-1H-isochromene (CID 158436535) is 4-bromo-3-propan-2-ylisoquinoline;2-chloro-4-fluoro-1-propan-2-ylbenzene;5-chloro-1-methyl-3-propan-2-ylpyridin-2-one;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;4,6-dimethyl-3-propan-2-ylpyridazine;3,4-dimethyl-2-propan-2-ylpyridine;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-ethyl-3-propan-2-ylpyridin-2-one;5-fluoro-2-methoxy-3-propan-2-ylpyridine;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;2-methyl-3-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-2H-chromene;8-propan-2-yl-3,4-dihydro-1H-isochromene.
What is the SMILES notation for 4-bromo-3-propan-2-ylisoquinoline;2-chloro-4-fluoro-1-propan-2-ylbenzene;5-chloro-1-methyl-3-propan-2-ylpyridin-2-one;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;4,6-dimethyl-3-propan-2-ylpyridazine;3,4-dimethyl-2-propan-2-ylpyridine;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-ethyl-3-propan-2-ylpyridin-2-one;5-fluoro-2-methoxy-3-propan-2-ylpyridine;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;2-methyl-3-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-2H-chromene;8-propan-2-yl-3,4-dihydro-1H-isochromene?
The canonical SMILES for 4-bromo-3-propan-2-ylisoquinoline;2-chloro-4-fluoro-1-propan-2-ylbenzene;5-chloro-1-methyl-3-propan-2-ylpyridin-2-one;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;4,6-dimethyl-3-propan-2-ylpyridazine;3,4-dimethyl-2-propan-2-ylpyridine;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-ethyl-3-propan-2-ylpyridin-2-one;5-fluoro-2-methoxy-3-propan-2-ylpyridine;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;2-methyl-3-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-2H-chromene;8-propan-2-yl-3,4-dihydro-1H-isochromene is CC(C)c1c(Cl)cc(F)cc1Cl.CC(C)c1cc(Cl)cn(C)c1=O.CC(C)c1cc(F)c(F)cc1OC1CC1.CC(C)c1cc(F)cn(C)c1=O.CC(C)c1cc2cnccc2n(C)c1=O.CC(C)c1ccc(F)cc1Cl.CC(C)c1cccc2c1COCC2.CC(C)c1cccc2c1OCCC2.CC(C)c1cccc2scnc12.CC(C)c1cn(C)nc1C(F)(F)F.CC(C)c1ncc2ccccc2c1Br.CC(C)c1nccn(C)c1=O.CCn1cccc(C(C)C)c1=O.COc1cc(F)cnc1C(C)C.COc1ccn(C)c(=O)c1C(C)C.COc1ncc(F)cc1C(C)C.Cc1c(C(C)C)c(C(F)(F)F)nn1C.Cc1cc(C(C)C)c(=O)n(C)c1.Cc1cc(C)c(C(C)C)nn1.Cc1ccn(C)c(=O)c1C(C)C.Cc1ccnc(C(C)C)c1C.Cc1nccnc1C(C)C.Cc1nn(C)nc1C(C)C.
What is the InChIKey of 4-bromo-3-propan-2-ylisoquinoline;2-chloro-4-fluoro-1-propan-2-ylbenzene;5-chloro-1-methyl-3-propan-2-ylpyridin-2-one;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;4,6-dimethyl-3-propan-2-ylpyridazine;3,4-dimethyl-2-propan-2-ylpyridine;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-ethyl-3-propan-2-ylpyridin-2-one;5-fluoro-2-methoxy-3-propan-2-ylpyridine;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;2-methyl-3-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-2H-chromene;8-propan-2-yl-3,4-dihydro-1H-isochromene?
The InChIKey is HCHHVGLVWBTHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN.C12H14F2O.C12H14N2O.2C12H16O.C10H15NO2.3C10H15NO.C10H11NS.C10H15N.C9H9Cl2F.C9H10ClF.C9H12ClNO.C9H13F3N2.3C9H12FNO.C9H14N2.C8H11F3N2.C8H12N2O.C8H12N2.C7H13N3/c1-8(2)12-11(13)10-6-4-3-5-9(10)7-14-12;1-7(2)9-5-10(13)11(14)6-12(9)15-8-3-4-8;1-8(2)10-6-9-7-13-5-4-11(9)14(3)12(10)15;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-7(2)9-8(13-4)5-6-11(3)10(9)12;1-7(2)9-5-8(3)6-11(4)10(9)12;1-7(2)9-8(3)5-6-11(4)10(9)12;1-4-11-7-5-6-9(8(2)3)10(11)12;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)10-9(4)8(3)5-6-11-10;1-5(2)9-7(10)3-6(12)4-8(9)11;1-6(2)8-4-3-7(11)5-9(8)10;1-6(2)8-4-7(10)5-11(3)9(8)12;1-5(2)7-6(3)14(4)13-8(7)9(10,11)12;1-6(2)9-8(12-3)4-7(10)5-11-9;1-6(2)8-4-7(10)5-11-9(8)12-3;1-6(2)8-4-7(10)5-11(3)9(8)12;1-6(2)9-7(3)5-8(4)10-11-9;1-5(2)6-4-13(3)12-7(6)8(9,10)11;1-6(2)7-8(11)10(3)5-4-9-7;1-6(2)8-7(3)9-4-5-10-8;1-5(2)7-6(3)8-10(4)9-7/h3-8H,1-2H3;5-8H,3-4H2,1-2H3;4-8H,1-3H3;3,5,7,9H,4,6,8H2,1-2H3;3-5,9H,6-8H2,1-2H3;5-7H,1-4H3;2*5-7H,1-4H3;5-8H,4H2,1-3H3;3-7H,1-2H3;5-7H,1-4H3;3-5H,1-2H3;3-6H,1-2H3;4-6H,1-3H3;5H,1-4H3;3*4-6H,1-3H3;5-6H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;5H,1-4H3.
What are the key properties of 4-bromo-3-propan-2-ylisoquinoline;2-chloro-4-fluoro-1-propan-2-ylbenzene;5-chloro-1-methyl-3-propan-2-ylpyridin-2-one;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;4,6-dimethyl-3-propan-2-ylpyridazine;3,4-dimethyl-2-propan-2-ylpyridine;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-ethyl-3-propan-2-ylpyridin-2-one;5-fluoro-2-methoxy-3-propan-2-ylpyridine;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;2-methyl-3-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-2H-chromene;8-propan-2-yl-3,4-dihydro-1H-isochromene?
4-bromo-3-propan-2-ylisoquinoline;2-chloro-4-fluoro-1-propan-2-ylbenzene;5-chloro-1-methyl-3-propan-2-ylpyridin-2-one;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;4,6-dimethyl-3-propan-2-ylpyridazine;3,4-dimethyl-2-propan-2-ylpyridine;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-ethyl-3-propan-2-ylpyridin-2-one;5-fluoro-2-methoxy-3-propan-2-ylpyridine;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;2-methyl-3-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-2H-chromene;8-propan-2-yl-3,4-dihydro-1H-isochromene has a molecular weight of 4069.78 g/mol, XLogP of 57.29, 29 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-propan-2-ylisoquinoline;2-chloro-4-fluoro-1-propan-2-ylbenzene;5-chloro-1-methyl-3-propan-2-ylpyridin-2-one;1-cyclopropyloxy-4,5-difluoro-2-propan-2-ylbenzene;1,3-dichloro-5-fluoro-2-propan-2-ylbenzene;4,6-dimethyl-3-propan-2-ylpyridazine;3,4-dimethyl-2-propan-2-ylpyridine;1,4-dimethyl-3-propan-2-ylpyridin-2-one;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-ethyl-3-propan-2-ylpyridin-2-one;5-fluoro-2-methoxy-3-propan-2-ylpyridine;5-fluoro-3-methoxy-2-propan-2-ylpyridine;5-fluoro-1-methyl-3-propan-2-ylpyridin-2-one;4-methoxy-1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;2-methyl-3-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazin-2-one;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-1,3-benzothiazole;8-propan-2-yl-3,4-dihydro-2H-chromene;8-propan-2-yl-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 158436535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).