2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(difluoromethyl)-5-propan-2-ylisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-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-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one

C220H270F6N22O12 — CID 158594192

IUPAC2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(difluoromethyl)-5-propan-2-ylisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-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-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
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(F)F)ccc12.CC(C)c1cccc2c(=O)n(C)ccc12.CC(C)c1cccc2c(=O)n(C)cnc12.CC(C)c1cccc2c1C=CCC2=O.CC(C)c1cccc2c1CCCC2=O.CC(C)c1cccc2c1CCN(C)C2=O.CC(C)c1cccc2c1CCN(CC(F)(F)F)C2=O.CC(C)c1cccc2cnn(C)c12.CC(C)c1cccc2ncn(C)c12.CC(C)c1ccnn1C.CC(F)Cn1ccc2c(C(C)C)cccc2c1=O.CCn1ccc2c(C(C)C)cccc2c1=O.Cc1[nH]nc2cccc(C(C)C)c12.Cc1ncoc1C(C)C.[2H]C([2H])(C)n1ccc2c(C(C)C)cccc2c1=O
InChIInChI=1S/C15H18FNO.C15H19NO.C14H16F3NO.2C14H17NO.C14H17N.C13H13F2NO.C13H17NO.C13H15NO.C13H16O.C13H14O.C12H14N2O.3C11H14N2.C10H12N2.C7H12N2.C7H11NO/c1-10(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)10-4-3-5-12-11(10)6-7-18(13(12)19)8-14(15,16)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;1-8(2)9-4-3-5-11-10(9)6-7-16(12(11)17)13(14)15;2*1-9(2)10-5-4-6-12-11(10)7-8-14(3)13(12)15;2*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;1-8(2)9-5-4-6-10-11(9)13(3)7-12-10;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;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-6(2)7-4-5-8-9(7)3;1-5(2)7-6(3)8-4-9-7/h4-8,10-11H,9H2,1-3H3;5-11H,1-4H3;3-5,9H,6-8H2,1-2H3;2*5-10H,4H2,1-3H3;5-10H,3H2,1-2,4H3;3-8,13H,1-2H3;4-6,9H,7-8H2,1-3H3;4-9H,1-3H3;3,5,7,9H,4,6,8H2,1-2H3;3-7,9H,8H2,1-2H3;4-8H,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);3-7H,1-2H3,(H,11,12);4-6H,1-3H3;4-5H,1-3H3/i;;;4D2;;;;;;;;;;;;;;
InChIKeyHUUVYGLTWQYDOZ-HABYFCGBSA-N
MW3530.72 g/mol
LogP52.78
Rot. Bonds25

About 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(difluoromethyl)-5-propan-2-ylisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-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-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one

2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(difluoromethyl)-5-propan-2-ylisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-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-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one (PubChem CID 158594192) has the molecular formula C220H270F6N22O12 and a molecular weight of 3530.72 g/mol. Its IUPAC name is 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(difluoromethyl)-5-propan-2-ylisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-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-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(difluoromethyl)-5-propan-2-ylisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-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-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
PubChem CID158594192
Molecular FormulaC220H270F6N22O12
Molecular Weight3530.72 g/mol
Exact Mass3528.12
IUPAC Name2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(difluoromethyl)-5-propan-2-ylisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-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-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
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(F)F)ccc12.CC(C)c1cccc2c(=O)n(C)ccc12.CC(C)c1cccc2c(=O)n(C)cnc12.CC(C)c1cccc2c1C=CCC2=O.CC(C)c1cccc2c1CCCC2=O.CC(C)c1cccc2c1CCN(C)C2=O.CC(C)c1cccc2c1CCN(CC(F)(F)F)C2=O.CC(C)c1cccc2cnn(C)c12.CC(C)c1cccc2ncn(C)c12.CC(C)c1ccnn1C.CC(F)Cn1ccc2c(C(C)C)cccc2c1=O.CCn1ccc2c(C(C)C)cccc2c1=O.Cc1[nH]nc2cccc(C(C)C)c12.Cc1ncoc1C(C)C.[2H]C([2H])(C)n1ccc2c(C(C)C)cccc2c1=O
InChIInChI=1S/C15H18FNO.C15H19NO.C14H16F3NO.2C14H17NO.C14H17N.C13H13F2NO.C13H17NO.C13H15NO.C13H16O.C13H14O.C12H14N2O.3C11H14N2.C10H12N2.C7H12N2.C7H11NO/c1-10(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)10-4-3-5-12-11(10)6-7-18(13(12)19)8-14(15,16)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;1-8(2)9-4-3-5-11-10(9)6-7-16(12(11)17)13(14)15;2*1-9(2)10-5-4-6-12-11(10)7-8-14(3)13(12)15;2*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;1-8(2)9-5-4-6-10-11(9)13(3)7-12-10;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;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-6(2)7-4-5-8-9(7)3;1-5(2)7-6(3)8-4-9-7/h4-8,10-11H,9H2,1-3H3;5-11H,1-4H3;3-5,9H,6-8H2,1-2H3;2*5-10H,4H2,1-3H3;5-10H,3H2,1-2,4H3;3-8,13H,1-2H3;4-6,9H,7-8H2,1-3H3;4-9H,1-3H3;3,5,7,9H,4,6,8H2,1-2H3;3-7,9H,8H2,1-2H3;4-8H,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);3-7H,1-2H3,(H,11,12);4-6H,1-3H3;4-5H,1-3H3/i;;;4D2;;;;;;;;;;;;;;
InChIKeyHUUVYGLTWQYDOZ-HABYFCGBSA-N
XLogP52.78
TPSA381.74 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds25
Heavy Atoms260
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003530.72
LogP ≤ 552.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Analyze 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(difluoromethyl)-5-propan-2-ylisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-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-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one with MolForge

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Related Compounds

3-anilino-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-phenyl-N-[4-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide
CID 159174326
3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylbenzamide
CID 159268866
2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(difluoromethyl)-5-propan-2-ylisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-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;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;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-2H-naphthalen-1-one;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
CID 159877003
CID 160530006
CID 160530006
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;6-methoxy-2-methyl-3-propan-2-ylpyridine;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;5-propan-2-yl-2H-naphthalen-1-one
CID 167635159
CID 167695909
CID 167695909
N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-1-methylimidazole-4-carboxamide;N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-1-methylpiperidine-4-carboxamide;N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-1,3-oxazole-4-carboxamide;N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]pyridine-4-carboxamide;N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]quinoxaline-6-carboxamide
CID 159033796
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-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-4-propan-2-ylindazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;bis(1-methyl-4-propan-2-ylindole);4-methyl-5-propan-2-ylisoquinoline;4-propan-2-yl-1H-indazole;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline
CID 160592633
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-cinnolin-4-ylmethanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-pyridin-3-ylphenyl)methanone
CID 160850511
2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-b]pyridazine
CID 161131121
1-methyl-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one
CID 161553850
2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(difluoromethyl)-5-propan-2-ylisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-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;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;3-propan-2-ylpyrazolo[1,5-b]pyridazine
CID 161699555

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(difluoromethyl)-5-propan-2-ylisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-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-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(difluoromethyl)-5-propan-2-ylisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-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-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one (CID 158594192) is 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(difluoromethyl)-5-propan-2-ylisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-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-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(difluoromethyl)-5-propan-2-ylisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-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-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(difluoromethyl)-5-propan-2-ylisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-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-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one 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(F)F)ccc12.CC(C)c1cccc2c(=O)n(C)ccc12.CC(C)c1cccc2c(=O)n(C)cnc12.CC(C)c1cccc2c1C=CCC2=O.CC(C)c1cccc2c1CCCC2=O.CC(C)c1cccc2c1CCN(C)C2=O.CC(C)c1cccc2c1CCN(CC(F)(F)F)C2=O.CC(C)c1cccc2cnn(C)c12.CC(C)c1cccc2ncn(C)c12.CC(C)c1ccnn1C.CC(F)Cn1ccc2c(C(C)C)cccc2c1=O.CCn1ccc2c(C(C)C)cccc2c1=O.Cc1[nH]nc2cccc(C(C)C)c12.Cc1ncoc1C(C)C.[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-(difluoromethyl)-5-propan-2-ylisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-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-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one?
The InChIKey is HUUVYGLTWQYDOZ-HABYFCGBSA-N. The full InChI is InChI=1S/C15H18FNO.C15H19NO.C14H16F3NO.2C14H17NO.C14H17N.C13H13F2NO.C13H17NO.C13H15NO.C13H16O.C13H14O.C12H14N2O.3C11H14N2.C10H12N2.C7H12N2.C7H11NO/c1-10(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)10-4-3-5-12-11(10)6-7-18(13(12)19)8-14(15,16)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;1-8(2)9-4-3-5-11-10(9)6-7-16(12(11)17)13(14)15;2*1-9(2)10-5-4-6-12-11(10)7-8-14(3)13(12)15;2*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;1-8(2)9-5-4-6-10-11(9)13(3)7-12-10;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;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-6(2)7-4-5-8-9(7)3;1-5(2)7-6(3)8-4-9-7/h4-8,10-11H,9H2,1-3H3;5-11H,1-4H3;3-5,9H,6-8H2,1-2H3;2*5-10H,4H2,1-3H3;5-10H,3H2,1-2,4H3;3-8,13H,1-2H3;4-6,9H,7-8H2,1-3H3;4-9H,1-3H3;3,5,7,9H,4,6,8H2,1-2H3;3-7,9H,8H2,1-2H3;4-8H,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);3-7H,1-2H3,(H,11,12);4-6H,1-3H3;4-5H,1-3H3/i;;;4D2;;;;;;;;;;;;;;.
What are the key properties of 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(difluoromethyl)-5-propan-2-ylisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-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-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one?
2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(difluoromethyl)-5-propan-2-ylisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-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-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one has a molecular weight of 3530.72 g/mol, XLogP of 52.78, 25 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(difluoromethyl)-5-propan-2-ylisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-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-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 158594192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).