2,2-dimethyl-3-propan-2-yl-3,4-dihydrothiochromene 1,1-dioxide;2-methyl-3-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-3-propan-2-yl-3,4-dihydro-2λ6,1-benzothiazine 2,2-dioxide;2-methyl-3-propan-2-yl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide;1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-3-propan-2-yl-2,3-dihydroquinolin-4-one;1-methyl-3-propan-2-yl-3,4-dihydroquinolin-2-one;2-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;3-propan-2-yl-3,4-dihydro-1H-isothiochromene 2,2-dioxide;3-propan-2-yl-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide;3-propan-2-yl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;2-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;3-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-2,3-dihydro-1H-quinolin-4-one;3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;3-propan-2-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-propan-2-yl-1,2,3,4-tetrahydroquinoline;1,2,2-trimethyl-3-propan-2-yl-3,4-dihydroquinoline

C262H347N13O27S7 — CID 158331446

IUPAC2,2-dimethyl-3-propan-2-yl-3,4-dihydrothiochromene 1,1-dioxide;2-methyl-3-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-3-propan-2-yl-3,4-dihydro-2λ6,1-benzothiazine 2,2-dioxide;2-methyl-3-propan-2-yl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide;1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-3-propan-2-yl-2,3-dihydroquinolin-4-one;1-methyl-3-propan-2-yl-3,4-dihydroquinolin-2-one;2-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;3-propan-2-yl-3,4-dihydro-1H-isothiochromene 2,2-dioxide;3-propan-2-yl-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide;3-propan-2-yl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;2-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;3-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-2,3-dihydro-1H-quinolin-4-one;3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;3-propan-2-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-propan-2-yl-1,2,3,4-tetrahydroquinoline;1,2,2-trimethyl-3-propan-2-yl-3,4-dihydroquinoline
SMILESCC(C)C1CC(=O)c2ccccc2C1.CC(C)C1CC(=O)c2ccccc2O1.CC(C)C1CCc2ccccc2C1=O.CC(C)C1CN(C)c2ccccc2C1=O.CC(C)C1CNc2ccccc2C1.CC(C)C1CNc2ccccc2C1=O.CC(C)C1COc2ccccc2C1=O.CC(C)C1Cc2ccccc2C(=O)N1.CC(C)C1Cc2ccccc2C(=O)N1C.CC(C)C1Cc2ccccc2CC1=O.CC(C)C1Cc2ccccc2CS1(=O)=O.CC(C)C1Cc2ccccc2N(C)C1.CC(C)C1Cc2ccccc2N(C)C1(C)C.CC(C)C1Cc2ccccc2N(C)C1=O.CC(C)C1Cc2ccccc2N(C)S1(=O)=O.CC(C)C1Cc2ccccc2NC1=O.CC(C)C1Cc2ccccc2NS1(=O)=O.CC(C)C1Cc2ccccc2S(=O)(=O)C1.CC(C)C1Cc2ccccc2S(=O)(=O)C1(C)C.CC(C)C1Cc2ccccc2S(=O)(=O)N1.CC(C)C1Cc2ccccc2S(=O)(=O)N1C
InChIInChI=1S/C15H23N.C14H20O2S.3C13H17NO.C13H19N.3C13H16O.2C12H17NO2S.3C12H15NO.C12H17N.2C12H16O2S.2C12H14O2.2C11H15NO2S/c1-11(2)13-10-12-8-6-7-9-14(12)16(5)15(13,3)4;1-10(2)12-9-11-7-5-6-8-13(11)17(15,16)14(12,3)4;1-9(2)11-8-14(3)12-7-5-4-6-10(12)13(11)15;1-9(2)11-8-10-6-4-5-7-12(10)14(3)13(11)15;1-9(2)12-8-10-6-4-5-7-11(10)13(15)14(12)3;1-10(2)12-8-11-6-4-5-7-13(11)14(3)9-12;1-9(2)11-7-10-5-3-4-6-12(10)13(14)8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-13(12)14;1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)14;1-9(2)11-8-10-6-4-5-7-12(10)16(14,15)13(11)3;1-9(2)12-8-10-6-4-5-7-11(10)13(3)16(12,14)15;1-8(2)10-7-13-11-6-4-3-5-9(11)12(10)14;1-8(2)10-7-9-5-3-4-6-11(9)13-12(10)14;1-8(2)11-7-9-5-3-4-6-10(9)12(14)13-11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)11-7-10-5-3-4-6-12(10)15(13,14)8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-15(12,13)14;1-8(2)12-7-10(13)9-5-3-4-6-11(9)14-12;1-8(2)10-7-14-11-6-4-3-5-9(11)12(10)13;1-8(2)10-7-9-5-3-4-6-11(9)15(13,14)12-10;1-8(2)11-7-9-5-3-4-6-10(9)12-15(11,13)14/h6-9,11,13H,10H2,1-5H3;5-8,10,12H,9H2,1-4H3;2*4-7,9,11H,8H2,1-3H3;4-7,9,12H,8H2,1-3H3;4-7,10,12H,8-9H2,1-3H3;3-6,9,11H,7-8H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-6,9,11H,7-8H2,1-2H3;4-7,9,11H,8H2,1-3H3;4-7,9,12H,8H2,1-3H3;3-6,8,10,13H,7H2,1-2H3;3-6,8,10H,7H2,1-2H3,(H,13,14);3-6,8,11H,7H2,1-2H3,(H,13,14);3-6,9,11,13H,7-8H2,1-2H3;3-6,9,11H,7-8H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-6,8,12H,7H2,1-2H3;3-6,8,10H,7H2,1-2H3;3-6,8,10,12H,7H2,1-2H3;3-6,8,11-12H,7H2,1-2H3
InChIKeyGQBFRRGKYYGCFV-UHFFFAOYSA-N
MW4335.19 g/mol
LogP53.06
Rot. Bonds21

About 2,2-dimethyl-3-propan-2-yl-3,4-dihydrothiochromene 1,1-dioxide;2-methyl-3-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-3-propan-2-yl-3,4-dihydro-2λ6,1-benzothiazine 2,2-dioxide;2-methyl-3-propan-2-yl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide;1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-3-propan-2-yl-2,3-dihydroquinolin-4-one;1-methyl-3-propan-2-yl-3,4-dihydroquinolin-2-one;2-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;3-propan-2-yl-3,4-dihydro-1H-isothiochromene 2,2-dioxide;3-propan-2-yl-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide;3-propan-2-yl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;2-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;3-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-2,3-dihydro-1H-quinolin-4-one;3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;3-propan-2-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-propan-2-yl-1,2,3,4-tetrahydroquinoline;1,2,2-trimethyl-3-propan-2-yl-3,4-dihydroquinoline

2,2-dimethyl-3-propan-2-yl-3,4-dihydrothiochromene 1,1-dioxide;2-methyl-3-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-3-propan-2-yl-3,4-dihydro-2λ6,1-benzothiazine 2,2-dioxide;2-methyl-3-propan-2-yl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide;1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-3-propan-2-yl-2,3-dihydroquinolin-4-one;1-methyl-3-propan-2-yl-3,4-dihydroquinolin-2-one;2-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;3-propan-2-yl-3,4-dihydro-1H-isothiochromene 2,2-dioxide;3-propan-2-yl-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide;3-propan-2-yl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;2-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;3-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-2,3-dihydro-1H-quinolin-4-one;3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;3-propan-2-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-propan-2-yl-1,2,3,4-tetrahydroquinoline;1,2,2-trimethyl-3-propan-2-yl-3,4-dihydroquinoline (PubChem CID 158331446) has the molecular formula C262H347N13O27S7 and a molecular weight of 4335.19 g/mol. Its IUPAC name is 2,2-dimethyl-3-propan-2-yl-3,4-dihydrothiochromene 1,1-dioxide;2-methyl-3-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-3-propan-2-yl-3,4-dihydro-2λ6,1-benzothiazine 2,2-dioxide;2-methyl-3-propan-2-yl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide;1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-3-propan-2-yl-2,3-dihydroquinolin-4-one;1-methyl-3-propan-2-yl-3,4-dihydroquinolin-2-one;2-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;3-propan-2-yl-3,4-dihydro-1H-isothiochromene 2,2-dioxide;3-propan-2-yl-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide;3-propan-2-yl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;2-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;3-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-2,3-dihydro-1H-quinolin-4-one;3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;3-propan-2-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-propan-2-yl-1,2,3,4-tetrahydroquinoline;1,2,2-trimethyl-3-propan-2-yl-3,4-dihydroquinoline.

Molecular Properties

Compound Name2,2-dimethyl-3-propan-2-yl-3,4-dihydrothiochromene 1,1-dioxide;2-methyl-3-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-3-propan-2-yl-3,4-dihydro-2λ6,1-benzothiazine 2,2-dioxide;2-methyl-3-propan-2-yl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide;1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-3-propan-2-yl-2,3-dihydroquinolin-4-one;1-methyl-3-propan-2-yl-3,4-dihydroquinolin-2-one;2-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;3-propan-2-yl-3,4-dihydro-1H-isothiochromene 2,2-dioxide;3-propan-2-yl-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide;3-propan-2-yl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;2-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;3-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-2,3-dihydro-1H-quinolin-4-one;3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;3-propan-2-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-propan-2-yl-1,2,3,4-tetrahydroquinoline;1,2,2-trimethyl-3-propan-2-yl-3,4-dihydroquinoline
PubChem CID158331446
Molecular FormulaC262H347N13O27S7
Molecular Weight4335.19 g/mol
Exact Mass4331.42
IUPAC Name2,2-dimethyl-3-propan-2-yl-3,4-dihydrothiochromene 1,1-dioxide;2-methyl-3-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-3-propan-2-yl-3,4-dihydro-2λ6,1-benzothiazine 2,2-dioxide;2-methyl-3-propan-2-yl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide;1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-3-propan-2-yl-2,3-dihydroquinolin-4-one;1-methyl-3-propan-2-yl-3,4-dihydroquinolin-2-one;2-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;3-propan-2-yl-3,4-dihydro-1H-isothiochromene 2,2-dioxide;3-propan-2-yl-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide;3-propan-2-yl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;2-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;3-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-2,3-dihydro-1H-quinolin-4-one;3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;3-propan-2-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-propan-2-yl-1,2,3,4-tetrahydroquinoline;1,2,2-trimethyl-3-propan-2-yl-3,4-dihydroquinoline
SMILESCC(C)C1CC(=O)c2ccccc2C1.CC(C)C1CC(=O)c2ccccc2O1.CC(C)C1CCc2ccccc2C1=O.CC(C)C1CN(C)c2ccccc2C1=O.CC(C)C1CNc2ccccc2C1.CC(C)C1CNc2ccccc2C1=O.CC(C)C1COc2ccccc2C1=O.CC(C)C1Cc2ccccc2C(=O)N1.CC(C)C1Cc2ccccc2C(=O)N1C.CC(C)C1Cc2ccccc2CC1=O.CC(C)C1Cc2ccccc2CS1(=O)=O.CC(C)C1Cc2ccccc2N(C)C1.CC(C)C1Cc2ccccc2N(C)C1(C)C.CC(C)C1Cc2ccccc2N(C)C1=O.CC(C)C1Cc2ccccc2N(C)S1(=O)=O.CC(C)C1Cc2ccccc2NC1=O.CC(C)C1Cc2ccccc2NS1(=O)=O.CC(C)C1Cc2ccccc2S(=O)(=O)C1.CC(C)C1Cc2ccccc2S(=O)(=O)C1(C)C.CC(C)C1Cc2ccccc2S(=O)(=O)N1.CC(C)C1Cc2ccccc2S(=O)(=O)N1C
InChIInChI=1S/C15H23N.C14H20O2S.3C13H17NO.C13H19N.3C13H16O.2C12H17NO2S.3C12H15NO.C12H17N.2C12H16O2S.2C12H14O2.2C11H15NO2S/c1-11(2)13-10-12-8-6-7-9-14(12)16(5)15(13,3)4;1-10(2)12-9-11-7-5-6-8-13(11)17(15,16)14(12,3)4;1-9(2)11-8-14(3)12-7-5-4-6-10(12)13(11)15;1-9(2)11-8-10-6-4-5-7-12(10)14(3)13(11)15;1-9(2)12-8-10-6-4-5-7-11(10)13(15)14(12)3;1-10(2)12-8-11-6-4-5-7-13(11)14(3)9-12;1-9(2)11-7-10-5-3-4-6-12(10)13(14)8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-13(12)14;1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)14;1-9(2)11-8-10-6-4-5-7-12(10)16(14,15)13(11)3;1-9(2)12-8-10-6-4-5-7-11(10)13(3)16(12,14)15;1-8(2)10-7-13-11-6-4-3-5-9(11)12(10)14;1-8(2)10-7-9-5-3-4-6-11(9)13-12(10)14;1-8(2)11-7-9-5-3-4-6-10(9)12(14)13-11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)11-7-10-5-3-4-6-12(10)15(13,14)8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-15(12,13)14;1-8(2)12-7-10(13)9-5-3-4-6-11(9)14-12;1-8(2)10-7-14-11-6-4-3-5-9(11)12(10)13;1-8(2)10-7-9-5-3-4-6-11(9)15(13,14)12-10;1-8(2)11-7-9-5-3-4-6-10(9)12-15(11,13)14/h6-9,11,13H,10H2,1-5H3;5-8,10,12H,9H2,1-4H3;2*4-7,9,11H,8H2,1-3H3;4-7,9,12H,8H2,1-3H3;4-7,10,12H,8-9H2,1-3H3;3-6,9,11H,7-8H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-6,9,11H,7-8H2,1-2H3;4-7,9,11H,8H2,1-3H3;4-7,9,12H,8H2,1-3H3;3-6,8,10,13H,7H2,1-2H3;3-6,8,10H,7H2,1-2H3,(H,13,14);3-6,8,11H,7H2,1-2H3,(H,13,14);3-6,9,11,13H,7-8H2,1-2H3;3-6,9,11H,7-8H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-6,8,12H,7H2,1-2H3;3-6,8,10H,7H2,1-2H3;3-6,8,10,12H,7H2,1-2H3;3-6,8,11-12H,7H2,1-2H3
InChIKeyGQBFRRGKYYGCFV-UHFFFAOYSA-N
XLogP53.06
TPSA540.07 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds21
Heavy Atoms309
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004335.19
LogP ≤ 553.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Analyze 2,2-dimethyl-3-propan-2-yl-3,4-dihydrothiochromene 1,1-dioxide;2-methyl-3-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-3-propan-2-yl-3,4-dihydro-2λ6,1-benzothiazine 2,2-dioxide;2-methyl-3-propan-2-yl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide;1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-3-propan-2-yl-2,3-dihydroquinolin-4-one;1-methyl-3-propan-2-yl-3,4-dihydroquinolin-2-one;2-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;3-propan-2-yl-3,4-dihydro-1H-isothiochromene 2,2-dioxide;3-propan-2-yl-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide;3-propan-2-yl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;2-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;3-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-2,3-dihydro-1H-quinolin-4-one;3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;3-propan-2-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-propan-2-yl-1,2,3,4-tetrahydroquinoline;1,2,2-trimethyl-3-propan-2-yl-3,4-dihydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-propan-2-yl-3,4-dihydrothiochromene 1,1-dioxide;2-methyl-3-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-3-propan-2-yl-3,4-dihydro-2λ6,1-benzothiazine 2,2-dioxide;2-methyl-3-propan-2-yl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide;1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-3-propan-2-yl-2,3-dihydroquinolin-4-one;1-methyl-3-propan-2-yl-3,4-dihydroquinolin-2-one;2-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;3-propan-2-yl-3,4-dihydro-1H-isothiochromene 2,2-dioxide;3-propan-2-yl-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide;3-propan-2-yl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;2-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;3-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-2,3-dihydro-1H-quinolin-4-one;3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;3-propan-2-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-propan-2-yl-1,2,3,4-tetrahydroquinoline;1,2,2-trimethyl-3-propan-2-yl-3,4-dihydroquinoline?
The IUPAC name of 2,2-dimethyl-3-propan-2-yl-3,4-dihydrothiochromene 1,1-dioxide;2-methyl-3-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-3-propan-2-yl-3,4-dihydro-2λ6,1-benzothiazine 2,2-dioxide;2-methyl-3-propan-2-yl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide;1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-3-propan-2-yl-2,3-dihydroquinolin-4-one;1-methyl-3-propan-2-yl-3,4-dihydroquinolin-2-one;2-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;3-propan-2-yl-3,4-dihydro-1H-isothiochromene 2,2-dioxide;3-propan-2-yl-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide;3-propan-2-yl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;2-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;3-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-2,3-dihydro-1H-quinolin-4-one;3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;3-propan-2-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-propan-2-yl-1,2,3,4-tetrahydroquinoline;1,2,2-trimethyl-3-propan-2-yl-3,4-dihydroquinoline (CID 158331446) is 2,2-dimethyl-3-propan-2-yl-3,4-dihydrothiochromene 1,1-dioxide;2-methyl-3-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-3-propan-2-yl-3,4-dihydro-2λ6,1-benzothiazine 2,2-dioxide;2-methyl-3-propan-2-yl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide;1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-3-propan-2-yl-2,3-dihydroquinolin-4-one;1-methyl-3-propan-2-yl-3,4-dihydroquinolin-2-one;2-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;3-propan-2-yl-3,4-dihydro-1H-isothiochromene 2,2-dioxide;3-propan-2-yl-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide;3-propan-2-yl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;2-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;3-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-2,3-dihydro-1H-quinolin-4-one;3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;3-propan-2-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-propan-2-yl-1,2,3,4-tetrahydroquinoline;1,2,2-trimethyl-3-propan-2-yl-3,4-dihydroquinoline.
What is the SMILES notation for 2,2-dimethyl-3-propan-2-yl-3,4-dihydrothiochromene 1,1-dioxide;2-methyl-3-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-3-propan-2-yl-3,4-dihydro-2λ6,1-benzothiazine 2,2-dioxide;2-methyl-3-propan-2-yl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide;1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-3-propan-2-yl-2,3-dihydroquinolin-4-one;1-methyl-3-propan-2-yl-3,4-dihydroquinolin-2-one;2-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;3-propan-2-yl-3,4-dihydro-1H-isothiochromene 2,2-dioxide;3-propan-2-yl-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide;3-propan-2-yl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;2-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;3-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-2,3-dihydro-1H-quinolin-4-one;3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;3-propan-2-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-propan-2-yl-1,2,3,4-tetrahydroquinoline;1,2,2-trimethyl-3-propan-2-yl-3,4-dihydroquinoline?
The canonical SMILES for 2,2-dimethyl-3-propan-2-yl-3,4-dihydrothiochromene 1,1-dioxide;2-methyl-3-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-3-propan-2-yl-3,4-dihydro-2λ6,1-benzothiazine 2,2-dioxide;2-methyl-3-propan-2-yl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide;1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-3-propan-2-yl-2,3-dihydroquinolin-4-one;1-methyl-3-propan-2-yl-3,4-dihydroquinolin-2-one;2-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;3-propan-2-yl-3,4-dihydro-1H-isothiochromene 2,2-dioxide;3-propan-2-yl-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide;3-propan-2-yl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;2-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;3-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-2,3-dihydro-1H-quinolin-4-one;3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;3-propan-2-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-propan-2-yl-1,2,3,4-tetrahydroquinoline;1,2,2-trimethyl-3-propan-2-yl-3,4-dihydroquinoline is CC(C)C1CC(=O)c2ccccc2C1.CC(C)C1CC(=O)c2ccccc2O1.CC(C)C1CCc2ccccc2C1=O.CC(C)C1CN(C)c2ccccc2C1=O.CC(C)C1CNc2ccccc2C1.CC(C)C1CNc2ccccc2C1=O.CC(C)C1COc2ccccc2C1=O.CC(C)C1Cc2ccccc2C(=O)N1.CC(C)C1Cc2ccccc2C(=O)N1C.CC(C)C1Cc2ccccc2CC1=O.CC(C)C1Cc2ccccc2CS1(=O)=O.CC(C)C1Cc2ccccc2N(C)C1.CC(C)C1Cc2ccccc2N(C)C1(C)C.CC(C)C1Cc2ccccc2N(C)C1=O.CC(C)C1Cc2ccccc2N(C)S1(=O)=O.CC(C)C1Cc2ccccc2NC1=O.CC(C)C1Cc2ccccc2NS1(=O)=O.CC(C)C1Cc2ccccc2S(=O)(=O)C1.CC(C)C1Cc2ccccc2S(=O)(=O)C1(C)C.CC(C)C1Cc2ccccc2S(=O)(=O)N1.CC(C)C1Cc2ccccc2S(=O)(=O)N1C.
What is the InChIKey of 2,2-dimethyl-3-propan-2-yl-3,4-dihydrothiochromene 1,1-dioxide;2-methyl-3-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-3-propan-2-yl-3,4-dihydro-2λ6,1-benzothiazine 2,2-dioxide;2-methyl-3-propan-2-yl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide;1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-3-propan-2-yl-2,3-dihydroquinolin-4-one;1-methyl-3-propan-2-yl-3,4-dihydroquinolin-2-one;2-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;3-propan-2-yl-3,4-dihydro-1H-isothiochromene 2,2-dioxide;3-propan-2-yl-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide;3-propan-2-yl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;2-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;3-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-2,3-dihydro-1H-quinolin-4-one;3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;3-propan-2-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-propan-2-yl-1,2,3,4-tetrahydroquinoline;1,2,2-trimethyl-3-propan-2-yl-3,4-dihydroquinoline?
The InChIKey is GQBFRRGKYYGCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C14H20O2S.3C13H17NO.C13H19N.3C13H16O.2C12H17NO2S.3C12H15NO.C12H17N.2C12H16O2S.2C12H14O2.2C11H15NO2S/c1-11(2)13-10-12-8-6-7-9-14(12)16(5)15(13,3)4;1-10(2)12-9-11-7-5-6-8-13(11)17(15,16)14(12,3)4;1-9(2)11-8-14(3)12-7-5-4-6-10(12)13(11)15;1-9(2)11-8-10-6-4-5-7-12(10)14(3)13(11)15;1-9(2)12-8-10-6-4-5-7-11(10)13(15)14(12)3;1-10(2)12-8-11-6-4-5-7-13(11)14(3)9-12;1-9(2)11-7-10-5-3-4-6-12(10)13(14)8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-13(12)14;1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)14;1-9(2)11-8-10-6-4-5-7-12(10)16(14,15)13(11)3;1-9(2)12-8-10-6-4-5-7-11(10)13(3)16(12,14)15;1-8(2)10-7-13-11-6-4-3-5-9(11)12(10)14;1-8(2)10-7-9-5-3-4-6-11(9)13-12(10)14;1-8(2)11-7-9-5-3-4-6-10(9)12(14)13-11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)11-7-10-5-3-4-6-12(10)15(13,14)8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-15(12,13)14;1-8(2)12-7-10(13)9-5-3-4-6-11(9)14-12;1-8(2)10-7-14-11-6-4-3-5-9(11)12(10)13;1-8(2)10-7-9-5-3-4-6-11(9)15(13,14)12-10;1-8(2)11-7-9-5-3-4-6-10(9)12-15(11,13)14/h6-9,11,13H,10H2,1-5H3;5-8,10,12H,9H2,1-4H3;2*4-7,9,11H,8H2,1-3H3;4-7,9,12H,8H2,1-3H3;4-7,10,12H,8-9H2,1-3H3;3-6,9,11H,7-8H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-6,9,11H,7-8H2,1-2H3;4-7,9,11H,8H2,1-3H3;4-7,9,12H,8H2,1-3H3;3-6,8,10,13H,7H2,1-2H3;3-6,8,10H,7H2,1-2H3,(H,13,14);3-6,8,11H,7H2,1-2H3,(H,13,14);3-6,9,11,13H,7-8H2,1-2H3;3-6,9,11H,7-8H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-6,8,12H,7H2,1-2H3;3-6,8,10H,7H2,1-2H3;3-6,8,10,12H,7H2,1-2H3;3-6,8,11-12H,7H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-propan-2-yl-3,4-dihydrothiochromene 1,1-dioxide;2-methyl-3-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-3-propan-2-yl-3,4-dihydro-2λ6,1-benzothiazine 2,2-dioxide;2-methyl-3-propan-2-yl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide;1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-3-propan-2-yl-2,3-dihydroquinolin-4-one;1-methyl-3-propan-2-yl-3,4-dihydroquinolin-2-one;2-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;3-propan-2-yl-3,4-dihydro-1H-isothiochromene 2,2-dioxide;3-propan-2-yl-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide;3-propan-2-yl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;2-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;3-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-2,3-dihydro-1H-quinolin-4-one;3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;3-propan-2-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-propan-2-yl-1,2,3,4-tetrahydroquinoline;1,2,2-trimethyl-3-propan-2-yl-3,4-dihydroquinoline?
2,2-dimethyl-3-propan-2-yl-3,4-dihydrothiochromene 1,1-dioxide;2-methyl-3-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-3-propan-2-yl-3,4-dihydro-2λ6,1-benzothiazine 2,2-dioxide;2-methyl-3-propan-2-yl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide;1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-3-propan-2-yl-2,3-dihydroquinolin-4-one;1-methyl-3-propan-2-yl-3,4-dihydroquinolin-2-one;2-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;3-propan-2-yl-3,4-dihydro-1H-isothiochromene 2,2-dioxide;3-propan-2-yl-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide;3-propan-2-yl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;2-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;3-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-2,3-dihydro-1H-quinolin-4-one;3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;3-propan-2-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-propan-2-yl-1,2,3,4-tetrahydroquinoline;1,2,2-trimethyl-3-propan-2-yl-3,4-dihydroquinoline has a molecular weight of 4335.19 g/mol, XLogP of 53.06, 21 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-propan-2-yl-3,4-dihydrothiochromene 1,1-dioxide;2-methyl-3-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-3-propan-2-yl-3,4-dihydro-2λ6,1-benzothiazine 2,2-dioxide;2-methyl-3-propan-2-yl-3,4-dihydro-1λ6,2-benzothiazine 1,1-dioxide;1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-3-propan-2-yl-2,3-dihydroquinolin-4-one;1-methyl-3-propan-2-yl-3,4-dihydroquinolin-2-one;2-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-2,3-dihydrochromen-4-one;3-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;3-propan-2-yl-3,4-dihydro-1H-isothiochromene 2,2-dioxide;3-propan-2-yl-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide;3-propan-2-yl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;2-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;3-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-yl-2,3-dihydro-1H-quinolin-4-one;3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;3-propan-2-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-propan-2-yl-1,2,3,4-tetrahydroquinoline;1,2,2-trimethyl-3-propan-2-yl-3,4-dihydroquinoline is sourced from PubChem (CID 158331446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).