8-methoxy-6-propan-2-ylquinoline;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,3-benzothiazol-2-amine;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;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

C150H183N21O11S2 — CID 167703167

IUPAC8-methoxy-6-propan-2-ylquinoline;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,3-benzothiazol-2-amine;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;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
SMILESCC(C)c1ccc2c(c1)C(=O)NC2.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)c1ccc2c(cnn2C)c1.CC(C)c1ccc2nc(N)[nH]c2c1.CC(C)c1ccc2nc(N)oc2c1.CC(C)c1ccc2nc(N)sc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.COc1cc(C(C)C)cc2cccnc12
InChIInChI=1S/C13H15NO.2C11H14N2O.C11H14N2.C11H13NO2.C11H13NO.C11H14O2.C11H14O.2C10H13N3.C10H12N2O.C10H12N2S.C10H11NO.C10H11NS/c1-9(2)11-7-10-5-4-6-14-13(10)12(8-11)15-3;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;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;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;1-8(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;3*1-6(2)7-3-4-8-9(5-7)13-10(11)12-8;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9/h4-9H,1-3H3;2*3-5,7,12H,6H2,1-2H3,(H,13,14);4-8H,1-3H3;3-5,7H,6H2,1-2H3,(H,12,13);3-5,7H,6H2,1-2H3,(H,12,13);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);2*3-6H,1-2H3,(H2,11,12);2*3-7H,1-2H3
InChIKeyYRWVNKIIJSTVOC-UHFFFAOYSA-N
MW2520.38 g/mol
LogP36.20
Rot. Bonds15

About 8-methoxy-6-propan-2-ylquinoline;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,3-benzothiazol-2-amine;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;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

8-methoxy-6-propan-2-ylquinoline;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,3-benzothiazol-2-amine;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;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 (PubChem CID 167703167) has the molecular formula C150H183N21O11S2 and a molecular weight of 2520.38 g/mol. Its IUPAC name is 8-methoxy-6-propan-2-ylquinoline;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,3-benzothiazol-2-amine;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;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.

Molecular Properties

Compound Name8-methoxy-6-propan-2-ylquinoline;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,3-benzothiazol-2-amine;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;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
PubChem CID167703167
Molecular FormulaC150H183N21O11S2
Molecular Weight2520.38 g/mol
Exact Mass2518.38
IUPAC Name8-methoxy-6-propan-2-ylquinoline;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,3-benzothiazol-2-amine;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;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
SMILESCC(C)c1ccc2c(c1)C(=O)NC2.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)c1ccc2c(cnn2C)c1.CC(C)c1ccc2nc(N)[nH]c2c1.CC(C)c1ccc2nc(N)oc2c1.CC(C)c1ccc2nc(N)sc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.COc1cc(C(C)C)cc2cccnc12
InChIInChI=1S/C13H15NO.2C11H14N2O.C11H14N2.C11H13NO2.C11H13NO.C11H14O2.C11H14O.2C10H13N3.C10H12N2O.C10H12N2S.C10H11NO.C10H11NS/c1-9(2)11-7-10-5-4-6-14-13(10)12(8-11)15-3;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;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;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;1-8(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;3*1-6(2)7-3-4-8-9(5-7)13-10(11)12-8;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9/h4-9H,1-3H3;2*3-5,7,12H,6H2,1-2H3,(H,13,14);4-8H,1-3H3;3-5,7H,6H2,1-2H3,(H,12,13);3-5,7H,6H2,1-2H3,(H,12,13);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);2*3-6H,1-2H3,(H2,11,12);2*3-7H,1-2H3
InChIKeyYRWVNKIIJSTVOC-UHFFFAOYSA-N
XLogP36.20
TPSA432.61 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds15
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002520.38
LogP ≤ 536.20
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze 8-methoxy-6-propan-2-ylquinoline;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,3-benzothiazol-2-amine;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;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 with MolForge

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

Launch Full Analysis

Related Compounds

4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157243093
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline
CID 157427896
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,6-dimethyl-2H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-6-fluoro-3-methyl-2H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157437972
benzaldehyde;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-(1,1-difluoroethyl)-1,3-bis(trifluoromethyl)benzene;3H-indole;4-methylidenecyclopent-2-en-1-one;4H-naphthalen-1-one;1,6-naphthyridine;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-phenyl-1,3-benzoxazole;2-pyridin-2-ylpyridine;quinoline
CID 158538440
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 158641726
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;bis(3-tert-butyl-1-methylindazole);tris(5-tert-butyl-1,2,3,4-tetrahydroquinoline)
CID 158766104
1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;1H-indazole;1H-indole;quinazoline;quinoline;quinoxaline;2,2,3,3-tetrafluoro-1,4-benzodioxine
CID 160229436
(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
1-Fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-phenyl-2-propan-2-ylbenzimidazole;4-phenyl-2-propan-2-ylquinoline;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;1-propan-2-ylisoquinoline;2-propan-2-yl-1,10-phenanthroline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane
CID 160856179
N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 160944258
10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3H-furan-3-id-2-yl)-1,3-benzothiazole;12H-phenanthro[9,10-b]pyridin-12-ide;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole;2-phenyl-1H-imidazole;1-phenylisoquinoline;2-phenyl-1,3-oxazole;2-phenylpyridine;2-phenylquinoline;2-phenyl-1,3-thiazole;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole
CID 160998536
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 161505078

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-propan-2-ylquinoline;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,3-benzothiazol-2-amine;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;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?
The IUPAC name of 8-methoxy-6-propan-2-ylquinoline;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,3-benzothiazol-2-amine;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;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 (CID 167703167) is 8-methoxy-6-propan-2-ylquinoline;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,3-benzothiazol-2-amine;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;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.
What is the SMILES notation for 8-methoxy-6-propan-2-ylquinoline;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,3-benzothiazol-2-amine;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;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?
The canonical SMILES for 8-methoxy-6-propan-2-ylquinoline;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,3-benzothiazol-2-amine;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;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 is CC(C)c1ccc2c(c1)C(=O)NC2.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)c1ccc2c(cnn2C)c1.CC(C)c1ccc2nc(N)[nH]c2c1.CC(C)c1ccc2nc(N)oc2c1.CC(C)c1ccc2nc(N)sc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.COc1cc(C(C)C)cc2cccnc12.
What is the InChIKey of 8-methoxy-6-propan-2-ylquinoline;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,3-benzothiazol-2-amine;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;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?
The InChIKey is YRWVNKIIJSTVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.2C11H14N2O.C11H14N2.C11H13NO2.C11H13NO.C11H14O2.C11H14O.2C10H13N3.C10H12N2O.C10H12N2S.C10H11NO.C10H11NS/c1-9(2)11-7-10-5-4-6-14-13(10)12(8-11)15-3;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;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;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;1-8(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;3*1-6(2)7-3-4-8-9(5-7)13-10(11)12-8;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9/h4-9H,1-3H3;2*3-5,7,12H,6H2,1-2H3,(H,13,14);4-8H,1-3H3;3-5,7H,6H2,1-2H3,(H,12,13);3-5,7H,6H2,1-2H3,(H,12,13);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);2*3-6H,1-2H3,(H2,11,12);2*3-7H,1-2H3.
What are the key properties of 8-methoxy-6-propan-2-ylquinoline;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,3-benzothiazol-2-amine;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;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?
8-methoxy-6-propan-2-ylquinoline;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,3-benzothiazol-2-amine;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;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 has a molecular weight of 2520.38 g/mol, XLogP of 36.20, 15 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-propan-2-ylquinoline;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,3-benzothiazol-2-amine;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-4H-1,4-benzoxazin-3-one;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;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 is sourced from PubChem (CID 167703167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).