1,5-dimethoxy-7-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;1-methyl-5-propan-2-ylbenzotriazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine

C186H232N20O17S — CID 167691912

IUPAC1,5-dimethoxy-7-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;1-methyl-5-propan-2-ylbenzotriazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine
SMILESCC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccc2c(c1)C(=O)NC2.CC(C)c1ccc2c(c1)C(=O)OC2.CC(C)c1ccc2c(c1)NC(=O)CN2.CC(C)c1ccc2c(c1)NCC(=O)N2.CC(C)c1ccc2c(c1)OCC(=O)N2.CC(C)c1ccc2c(c1)OCC2.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)nnn2C.CC(C)c1ccc2nc(N)[nH]c2c1.CC(C)c1ccc2nc(N)sc2c1.CC(C)c1cccc(N2CCOCC2)c1.COc1cc(C(C)C)cc2c(OC)nccc12.COc1cc(C(C)C)cc2ccccc12.COc1cc(C(C)C)cc2cccnc12.COc1cc(C(C)C)cc2nccnc12
InChIInChI=1S/C14H17NO2.C14H16O.C13H15NO.2C13H19NO.C12H14N2O.2C11H14N2O.C11H13NO2.C11H13NO.C11H12O2.C11H14O2.C11H14O.2C10H13N3.C10H12N2S/c1-9(2)10-7-12-11(13(8-10)16-3)5-6-15-14(12)17-4;1-10(2)12-8-11-6-4-5-7-13(11)14(9-12)15-3;1-9(2)11-7-10-5-4-6-14-13(10)12(8-11)15-3;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-8(2)9-6-10-12(11(7-9)15-3)14-5-4-13-10;1-7(2)8-3-4-9-10(5-8)12-6-11(14)13-9;1-7(2)8-3-4-9-10(5-8)13-11(14)6-12-9;1-7(2)8-3-4-9-10(5-8)14-6-11(13)12-9;1-7(2)8-3-4-9-6-12-11(13)10(9)5-8;1-7(2)8-3-4-9-6-13-11(12)10(9)5-8;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)8-4-5-10-9(6-8)11-12-13(10)3;2*1-6(2)7-3-4-8-9(5-7)13-10(11)12-8/h5-9H,1-4H3;4-10H,1-3H3;4-9H,1-3H3;3-6,11H,7-10H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;4-8H,1-3H3;2*3-5,7,12H,6H2,1-2H3,(H,13,14);3-5,7H,6H2,1-2H3,(H,12,13);3-5,7H,6H2,1-2H3,(H,12,13);3-5,7H,6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;4-7H,1-3H3;3-6H,1-2H3,(H3,11,12,13);3-6H,1-2H3,(H2,11,12)
InChIKeyXBPMZZVTAURGLU-UHFFFAOYSA-N
MW3052.09 g/mol
LogP42.48
Rot. Bonds23

About 1,5-dimethoxy-7-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;1-methyl-5-propan-2-ylbenzotriazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine

1,5-dimethoxy-7-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;1-methyl-5-propan-2-ylbenzotriazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine (PubChem CID 167691912) has the molecular formula C186H232N20O17S and a molecular weight of 3052.09 g/mol. Its IUPAC name is 1,5-dimethoxy-7-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;1-methyl-5-propan-2-ylbenzotriazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine.

Molecular Properties

Compound Name1,5-dimethoxy-7-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;1-methyl-5-propan-2-ylbenzotriazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine
PubChem CID167691912
Molecular FormulaC186H232N20O17S
Molecular Weight3052.09 g/mol
Exact Mass3049.76
IUPAC Name1,5-dimethoxy-7-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;1-methyl-5-propan-2-ylbenzotriazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine
SMILESCC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccc2c(c1)C(=O)NC2.CC(C)c1ccc2c(c1)C(=O)OC2.CC(C)c1ccc2c(c1)NC(=O)CN2.CC(C)c1ccc2c(c1)NCC(=O)N2.CC(C)c1ccc2c(c1)OCC(=O)N2.CC(C)c1ccc2c(c1)OCC2.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)nnn2C.CC(C)c1ccc2nc(N)[nH]c2c1.CC(C)c1ccc2nc(N)sc2c1.CC(C)c1cccc(N2CCOCC2)c1.COc1cc(C(C)C)cc2c(OC)nccc12.COc1cc(C(C)C)cc2ccccc12.COc1cc(C(C)C)cc2cccnc12.COc1cc(C(C)C)cc2nccnc12
InChIInChI=1S/C14H17NO2.C14H16O.C13H15NO.2C13H19NO.C12H14N2O.2C11H14N2O.C11H13NO2.C11H13NO.C11H12O2.C11H14O2.C11H14O.2C10H13N3.C10H12N2S/c1-9(2)10-7-12-11(13(8-10)16-3)5-6-15-14(12)17-4;1-10(2)12-8-11-6-4-5-7-13(11)14(9-12)15-3;1-9(2)11-7-10-5-4-6-14-13(10)12(8-11)15-3;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-8(2)9-6-10-12(11(7-9)15-3)14-5-4-13-10;1-7(2)8-3-4-9-10(5-8)12-6-11(14)13-9;1-7(2)8-3-4-9-10(5-8)13-11(14)6-12-9;1-7(2)8-3-4-9-10(5-8)14-6-11(13)12-9;1-7(2)8-3-4-9-6-12-11(13)10(9)5-8;1-7(2)8-3-4-9-6-13-11(12)10(9)5-8;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)8-4-5-10-9(6-8)11-12-13(10)3;2*1-6(2)7-3-4-8-9(5-7)13-10(11)12-8/h5-9H,1-4H3;4-10H,1-3H3;4-9H,1-3H3;3-6,11H,7-10H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;4-8H,1-3H3;2*3-5,7,12H,6H2,1-2H3,(H,13,14);3-5,7H,6H2,1-2H3,(H,12,13);3-5,7H,6H2,1-2H3,(H,12,13);3-5,7H,6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;4-7H,1-3H3;3-6H,1-2H3,(H3,11,12,13);3-6H,1-2H3,(H2,11,12)
InChIKeyXBPMZZVTAURGLU-UHFFFAOYSA-N
XLogP42.48
TPSA450.65 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds23
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003052.09
LogP ≤ 542.48
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1,5-dimethoxy-7-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;1-methyl-5-propan-2-ylbenzotriazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine with MolForge

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Launch Full Analysis

Related Compounds

(2-Amino-1,3-benzothiazol-6-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(2-ethoxyethoxy)-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-methoxy-2-(trifluoromethyl)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-(3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen
CID 160742885
4-(1H-benzimidazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1-benzofuran-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzoxazol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1H-isoindol-5-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-2-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)-3H-isoindol-1-one;hydrochloride
CID 157099246
ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 157249492
bis(2-methyl-1H-benzimidazole);5-methyl-1,3-benzodioxole;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1H-indole;3-methyl-1H-indole;5-methylisoquinoline;8-methylisoquinoline;2-methylnaphthalene;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;bis(3-methylquinoline);4-methylquinoline;5-methylquinoline;8-methylquinoline;2-methyl-1,3,5-triazine;toluene
CID 157388765
6-tert-butyl-1,3-benzothiazole;8-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-1-hydroxy-4-methyl-3-methylidenequinoxalin-2-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indole;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-3-methylidene-4H-chromene;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;7-tert-butyl-2-methylidene-1H-quinoline;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-naphthalen-2-one;6-tert-butylquinoxaline;6-tert-butyltetrazolo[1,5-a]pyridine;7-tert-butyltetrazolo[1,5-a]pyridine;N-(3,3-dimethylbutan-2-yl)acetamide;2,2-dimethylpentane;2-methoxy-2,3,3-trimethylbutane;2,2,3,3-tetramethylbutanoic acid
CID 157653610
2-[10-([1]benzofuro[2,3-g]isoquinolin-9-yl)anthracen-9-yl]-5-phenylphenanthridin-6-imine;9-(10-phenanthren-3-ylanthracen-9-yl)-[1]benzofuro[2,3-b]quinoline;7-[10-[4-(2-phenyl-3H-benzimidazol-1-ium-1-yl)phenyl]anthracen-9-yl]-[1]benzofuro[3,2-g]quinoline;13-[10-[4-(2-phenyl-3H-benzimidazol-1-ium-1-yl)phenyl]anthracen-9-yl]-17-thia-2,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;7-[10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-[1]benzofuro[3,2-g]isoquinoline;13-[10-(6-pyridin-2-yl-2-pyridinyl)anthracen-9-yl]-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 157655224
1-(3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;1-(1,3-benzothiazol-2-yl)-3-piperidin-1-ylpropan-1-one;1-(1,3-benzoxazol-2-yl)-3-piperidin-1-ylpropan-1-one;8-methoxy-6-(3-piperidin-1-ylpropanoyl)-4H-chromen-3-one;3-piperidin-1-yl-1-(1-propan-2-ylbenzo[e]benzimidazol-7-yl)propan-1-one;3-piperidin-1-yl-1-[6-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]naphthalen-2-yl]propan-1-one
CID 157717690
CID 157734517
CID 157734517
propyl 4-[2-(1,3-benzoxazol-5-yl)-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(2-cyclopropylacetyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(ethylcarbamoyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methylbenzimidazol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzothiazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzoxazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-1H-indol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1H-pyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1,2,5-trimethylpyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate
CID 158096423
1-(3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(1-benzofuran-3-yl)-3-piperidin-1-ylpropan-1-one;1-(1,3-benzothiazol-2-yl)-3-piperidin-1-ylpropan-1-one;1-(1H-indazol-5-yl)-3-piperidin-1-ylpropan-1-one;1-(3H-indol-5-yl)-3-piperidin-1-ylpropan-1-one;5-methoxy-1-phenyl-7-(3-piperidin-1-ylpropanoyl)-3,4-dihydroquinazolin-2-one;8-methoxy-6-(3-piperidin-1-ylpropanoyl)-4H-chromen-3-one;3-piperidin-1-yl-1-[6-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]naphthalen-2-yl]propan-1-one
CID 158138486
6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine
CID 158161486
bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,1,3-benzoxadiazole;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-propan-2-ylfuran;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)imidazole;1-(3-propan-2-ylphenyl)pyrazole;3-(3-propan-2-ylphenyl)pyridine;1-(3-propan-2-ylphenyl)tetrazole;1-(3-propan-2-ylphenyl)-1,2,4-triazole;4-(3-propan-2-ylphenyl)-1,2,4-triazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;6-propan-2-yl-1H-pyridin-2-one;7-propan-2-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 158219241

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-7-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;1-methyl-5-propan-2-ylbenzotriazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine?
The IUPAC name of 1,5-dimethoxy-7-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;1-methyl-5-propan-2-ylbenzotriazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine (CID 167691912) is 1,5-dimethoxy-7-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;1-methyl-5-propan-2-ylbenzotriazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine.
What is the SMILES notation for 1,5-dimethoxy-7-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;1-methyl-5-propan-2-ylbenzotriazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine?
The canonical SMILES for 1,5-dimethoxy-7-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;1-methyl-5-propan-2-ylbenzotriazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine is CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccc2c(c1)C(=O)NC2.CC(C)c1ccc2c(c1)C(=O)OC2.CC(C)c1ccc2c(c1)NC(=O)CN2.CC(C)c1ccc2c(c1)NCC(=O)N2.CC(C)c1ccc2c(c1)OCC(=O)N2.CC(C)c1ccc2c(c1)OCC2.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)nnn2C.CC(C)c1ccc2nc(N)[nH]c2c1.CC(C)c1ccc2nc(N)sc2c1.CC(C)c1cccc(N2CCOCC2)c1.COc1cc(C(C)C)cc2c(OC)nccc12.COc1cc(C(C)C)cc2ccccc12.COc1cc(C(C)C)cc2cccnc12.COc1cc(C(C)C)cc2nccnc12.
What is the InChIKey of 1,5-dimethoxy-7-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;1-methyl-5-propan-2-ylbenzotriazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine?
The InChIKey is XBPMZZVTAURGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.C14H16O.C13H15NO.2C13H19NO.C12H14N2O.2C11H14N2O.C11H13NO2.C11H13NO.C11H12O2.C11H14O2.C11H14O.2C10H13N3.C10H12N2S/c1-9(2)10-7-12-11(13(8-10)16-3)5-6-15-14(12)17-4;1-10(2)12-8-11-6-4-5-7-13(11)14(9-12)15-3;1-9(2)11-7-10-5-4-6-14-13(10)12(8-11)15-3;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-8(2)9-6-10-12(11(7-9)15-3)14-5-4-13-10;1-7(2)8-3-4-9-10(5-8)12-6-11(14)13-9;1-7(2)8-3-4-9-10(5-8)13-11(14)6-12-9;1-7(2)8-3-4-9-10(5-8)14-6-11(13)12-9;1-7(2)8-3-4-9-6-12-11(13)10(9)5-8;1-7(2)8-3-4-9-6-13-11(12)10(9)5-8;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)8-4-5-10-9(6-8)11-12-13(10)3;2*1-6(2)7-3-4-8-9(5-7)13-10(11)12-8/h5-9H,1-4H3;4-10H,1-3H3;4-9H,1-3H3;3-6,11H,7-10H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;4-8H,1-3H3;2*3-5,7,12H,6H2,1-2H3,(H,13,14);3-5,7H,6H2,1-2H3,(H,12,13);3-5,7H,6H2,1-2H3,(H,12,13);3-5,7H,6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;4-7H,1-3H3;3-6H,1-2H3,(H3,11,12,13);3-6H,1-2H3,(H2,11,12).
What are the key properties of 1,5-dimethoxy-7-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;1-methyl-5-propan-2-ylbenzotriazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine?
1,5-dimethoxy-7-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;1-methyl-5-propan-2-ylbenzotriazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine has a molecular weight of 3052.09 g/mol, XLogP of 42.48, 23 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-7-propan-2-ylisoquinoline;1-methoxy-3-propan-2-ylnaphthalene;8-methoxy-6-propan-2-ylquinoline;5-methoxy-7-propan-2-ylquinoxaline;1-methyl-5-propan-2-ylbenzotriazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one;4-(3-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)morpholine is sourced from PubChem (CID 167691912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).