2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylisoquinolin-1-one;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;3-methyl-8-propan-2-ylquinazolin-4-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline

C305H365F4N37O9 — CID 160530006

IUPAC2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylisoquinolin-1-one;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;3-methyl-8-propan-2-ylquinazolin-4-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline
SMILESC=C1C=Cc2c(C(C)C)cccc2N1C.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c(=O)n(C(C)C)ccc12.CC(C)c1cccc2c(=O)n(C(C)F)ccc12.CC(C)c1cccc2c(=O)n(C)ccc12.CC(C)c1cccc2c(=O)n(C)cnc12.CC(C)c1cccc2c1C=CCC2=O.CC(C)c1cccc2c1CCN(CC(C)(F)F)C2=O.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cn(C)nc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2cnn(C)c12.CC(C)c1cccc2ncccc12.CC(C)c1cccc2ncn(C)c12.CC(C)c1cccc2nnn(C)c12.CC(C)c1ccnc2c1ccn2C.CC(C)c1cncc2cnccc12.CC(C)c1cnn2ncccc12.CC(F)Cn1ccc2c(C(C)C)cccc2c1=O.CCn1ccc2c(C(C)C)cccc2c1=O.Cc1[nH]nc2cccc(C(C)C)c12.[2H]C([2H])(C)n1ccc2c(C(C)C)cccc2c1=O
InChIInChI=1S/C15H19F2NO.C15H18FNO.C15H19NO.C14H16FNO.2C14H17NO.C14H17N.C13H15NO.C13H14O.C12H14N2O.C12H15N.4C12H13N.6C11H14N2.C11H12N2.C10H13N3.C10H12N2.C9H11N3/c1-10(2)11-5-4-6-13-12(11)7-8-18(14(13)19)9-15(3,16)17;1-10(2)12-5-4-6-14-13(12)7-8-17(15(14)18)9-11(3)16;1-10(2)12-6-5-7-14-13(12)8-9-16(11(3)4)15(14)17;1-9(2)11-5-4-6-13-12(11)7-8-16(10(3)15)14(13)17;2*1-4-15-9-8-12-11(10(2)3)6-5-7-13(12)14(15)16;1-10(2)12-6-5-7-14-13(12)9-8-11(3)15(14)4;1-9(2)10-5-4-6-12-11(10)7-8-14(3)13(12)15;1-9(2)10-5-3-7-12-11(10)6-4-8-13(12)14;1-8(2)9-5-4-6-10-11(9)13-7-14(3)12(10)15;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-8(2)9-5-4-6-10-11(9)13(3)7-12-10;1-8(2)10-6-4-5-9-7-13(3)12-11(9)10;1-8(2)10-6-4-5-9-7-12-13(3)11(9)10;1-7(2)9-5-4-6-10-11(9)8(3)12-13-10;1-8(2)11-7-13-6-9-5-12-4-3-10(9)11;1-7(2)8-5-4-6-9-10(8)13(3)12-11-9;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)8-6-11-12-9(8)4-3-5-10-12/h4-6,10H,7-9H2,1-3H3;4-8,10-11H,9H2,1-3H3;5-11H,1-4H3;4-10H,1-3H3;2*5-10H,4H2,1-3H3;5-10H,3H2,1-2,4H3;4-9H,1-3H3;3-7,9H,8H2,1-2H3;4-8H,1-3H3;4-9H,1-3H3;4*3-9H,1-2H3;5*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);3-8H,1-2H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3/i;;;;4D2;;;;;;;;;;;;;;;;;;;;
InChIKeyQVKKTCYLMVKHNH-TUHCBCOISA-N
MW4771.53 g/mol
LogP75.07
Rot. Bonds33

About 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylisoquinolin-1-one;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;3-methyl-8-propan-2-ylquinazolin-4-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline

2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylisoquinolin-1-one;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;3-methyl-8-propan-2-ylquinazolin-4-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline (PubChem CID 160530006) has the molecular formula C305H365F4N37O9 and a molecular weight of 4771.53 g/mol. Its IUPAC name is 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylisoquinolin-1-one;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;3-methyl-8-propan-2-ylquinazolin-4-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline.

Molecular Properties

Compound Name2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylisoquinolin-1-one;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;3-methyl-8-propan-2-ylquinazolin-4-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline
PubChem CID160530006
Molecular FormulaC305H365F4N37O9
Molecular Weight4771.53 g/mol
Exact Mass4767.93
IUPAC Name2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylisoquinolin-1-one;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;3-methyl-8-propan-2-ylquinazolin-4-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline
SMILESC=C1C=Cc2c(C(C)C)cccc2N1C.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c(=O)n(C(C)C)ccc12.CC(C)c1cccc2c(=O)n(C(C)F)ccc12.CC(C)c1cccc2c(=O)n(C)ccc12.CC(C)c1cccc2c(=O)n(C)cnc12.CC(C)c1cccc2c1C=CCC2=O.CC(C)c1cccc2c1CCN(CC(C)(F)F)C2=O.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cn(C)nc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2cnn(C)c12.CC(C)c1cccc2ncccc12.CC(C)c1cccc2ncn(C)c12.CC(C)c1cccc2nnn(C)c12.CC(C)c1ccnc2c1ccn2C.CC(C)c1cncc2cnccc12.CC(C)c1cnn2ncccc12.CC(F)Cn1ccc2c(C(C)C)cccc2c1=O.CCn1ccc2c(C(C)C)cccc2c1=O.Cc1[nH]nc2cccc(C(C)C)c12.[2H]C([2H])(C)n1ccc2c(C(C)C)cccc2c1=O
InChIInChI=1S/C15H19F2NO.C15H18FNO.C15H19NO.C14H16FNO.2C14H17NO.C14H17N.C13H15NO.C13H14O.C12H14N2O.C12H15N.4C12H13N.6C11H14N2.C11H12N2.C10H13N3.C10H12N2.C9H11N3/c1-10(2)11-5-4-6-13-12(11)7-8-18(14(13)19)9-15(3,16)17;1-10(2)12-5-4-6-14-13(12)7-8-17(15(14)18)9-11(3)16;1-10(2)12-6-5-7-14-13(12)8-9-16(11(3)4)15(14)17;1-9(2)11-5-4-6-13-12(11)7-8-16(10(3)15)14(13)17;2*1-4-15-9-8-12-11(10(2)3)6-5-7-13(12)14(15)16;1-10(2)12-6-5-7-14-13(12)9-8-11(3)15(14)4;1-9(2)10-5-4-6-12-11(10)7-8-14(3)13(12)15;1-9(2)10-5-3-7-12-11(10)6-4-8-13(12)14;1-8(2)9-5-4-6-10-11(9)13-7-14(3)12(10)15;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-8(2)9-5-4-6-10-11(9)13(3)7-12-10;1-8(2)10-6-4-5-9-7-13(3)12-11(9)10;1-8(2)10-6-4-5-9-7-12-13(3)11(9)10;1-7(2)9-5-4-6-10-11(9)8(3)12-13-10;1-8(2)11-7-13-6-9-5-12-4-3-10(9)11;1-7(2)8-5-4-6-9-10(8)13(3)12-11-9;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)8-6-11-12-9(8)4-3-5-10-12/h4-6,10H,7-9H2,1-3H3;4-8,10-11H,9H2,1-3H3;5-11H,1-4H3;4-10H,1-3H3;2*5-10H,4H2,1-3H3;5-10H,3H2,1-2,4H3;4-9H,1-3H3;3-7,9H,8H2,1-2H3;4-8H,1-3H3;4-9H,1-3H3;4*3-9H,1-2H3;5*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);3-8H,1-2H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3/i;;;;4D2;;;;;;;;;;;;;;;;;;;;
InChIKeyQVKKTCYLMVKHNH-TUHCBCOISA-N
XLogP75.07
TPSA497.14 Ų
H-Bond Donors2
H-Bond Acceptors43
Rotatable Bonds33
Heavy Atoms355
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004771.53
LogP ≤ 575.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1043

Analyze 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylisoquinolin-1-one;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;3-methyl-8-propan-2-ylquinazolin-4-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylisoquinolin-1-one;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;3-methyl-8-propan-2-ylquinazolin-4-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline?
The IUPAC name of 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylisoquinolin-1-one;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;3-methyl-8-propan-2-ylquinazolin-4-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline (CID 160530006) is 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylisoquinolin-1-one;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;3-methyl-8-propan-2-ylquinazolin-4-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline.
What is the SMILES notation for 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylisoquinolin-1-one;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;3-methyl-8-propan-2-ylquinazolin-4-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline?
The canonical SMILES for 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylisoquinolin-1-one;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;3-methyl-8-propan-2-ylquinazolin-4-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline is C=C1C=Cc2c(C(C)C)cccc2N1C.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c(=O)n(C(C)C)ccc12.CC(C)c1cccc2c(=O)n(C(C)F)ccc12.CC(C)c1cccc2c(=O)n(C)ccc12.CC(C)c1cccc2c(=O)n(C)cnc12.CC(C)c1cccc2c1C=CCC2=O.CC(C)c1cccc2c1CCN(CC(C)(F)F)C2=O.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cn(C)nc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2cnn(C)c12.CC(C)c1cccc2ncccc12.CC(C)c1cccc2ncn(C)c12.CC(C)c1cccc2nnn(C)c12.CC(C)c1ccnc2c1ccn2C.CC(C)c1cncc2cnccc12.CC(C)c1cnn2ncccc12.CC(F)Cn1ccc2c(C(C)C)cccc2c1=O.CCn1ccc2c(C(C)C)cccc2c1=O.Cc1[nH]nc2cccc(C(C)C)c12.[2H]C([2H])(C)n1ccc2c(C(C)C)cccc2c1=O.
What is the InChIKey of 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylisoquinolin-1-one;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;3-methyl-8-propan-2-ylquinazolin-4-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline?
The InChIKey is QVKKTCYLMVKHNH-TUHCBCOISA-N. The full InChI is InChI=1S/C15H19F2NO.C15H18FNO.C15H19NO.C14H16FNO.2C14H17NO.C14H17N.C13H15NO.C13H14O.C12H14N2O.C12H15N.4C12H13N.6C11H14N2.C11H12N2.C10H13N3.C10H12N2.C9H11N3/c1-10(2)11-5-4-6-13-12(11)7-8-18(14(13)19)9-15(3,16)17;1-10(2)12-5-4-6-14-13(12)7-8-17(15(14)18)9-11(3)16;1-10(2)12-6-5-7-14-13(12)8-9-16(11(3)4)15(14)17;1-9(2)11-5-4-6-13-12(11)7-8-16(10(3)15)14(13)17;2*1-4-15-9-8-12-11(10(2)3)6-5-7-13(12)14(15)16;1-10(2)12-6-5-7-14-13(12)9-8-11(3)15(14)4;1-9(2)10-5-4-6-12-11(10)7-8-14(3)13(12)15;1-9(2)10-5-3-7-12-11(10)6-4-8-13(12)14;1-8(2)9-5-4-6-10-11(9)13-7-14(3)12(10)15;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-8(2)9-5-4-6-10-11(9)13(3)7-12-10;1-8(2)10-6-4-5-9-7-13(3)12-11(9)10;1-8(2)10-6-4-5-9-7-12-13(3)11(9)10;1-7(2)9-5-4-6-10-11(9)8(3)12-13-10;1-8(2)11-7-13-6-9-5-12-4-3-10(9)11;1-7(2)8-5-4-6-9-10(8)13(3)12-11-9;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)8-6-11-12-9(8)4-3-5-10-12/h4-6,10H,7-9H2,1-3H3;4-8,10-11H,9H2,1-3H3;5-11H,1-4H3;4-10H,1-3H3;2*5-10H,4H2,1-3H3;5-10H,3H2,1-2,4H3;4-9H,1-3H3;3-7,9H,8H2,1-2H3;4-8H,1-3H3;4-9H,1-3H3;4*3-9H,1-2H3;5*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);3-8H,1-2H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3/i;;;;4D2;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylisoquinolin-1-one;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;3-methyl-8-propan-2-ylquinazolin-4-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline?
2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylisoquinolin-1-one;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;3-methyl-8-propan-2-ylquinazolin-4-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline has a molecular weight of 4771.53 g/mol, XLogP of 75.07, 33 rotatable bonds, 2 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylisoquinolin-1-one;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;3-methyl-8-propan-2-ylquinazolin-4-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;5-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline is sourced from PubChem (CID 160530006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).