5-tert-butyl-3H-1-benzofuran-2-one;6-tert-butylcinnoline;7-tert-butylcinnoline;5-tert-butyl-1H-indazole;6-tert-butylisoquinoline;7-tert-butylisoquinoline;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1-methylquinolin-2-one;2-tert-butyl-3-methylquinoxaline;6-tert-butyl-4H-naphthalen-1-one;6-tert-butylphthalazine;6-tert-butylquinazoline;7-tert-butylquinazoline;6-tert-butyl-1H-quinazoline-2,4-dione;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;ethane

C347H556N28O8 — CID 158543395

IUPAC5-tert-butyl-3H-1-benzofuran-2-one;6-tert-butylcinnoline;7-tert-butylcinnoline;5-tert-butyl-1H-indazole;6-tert-butylisoquinoline;7-tert-butylisoquinoline;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1-methylquinolin-2-one;2-tert-butyl-3-methylquinoxaline;6-tert-butyl-4H-naphthalen-1-one;6-tert-butylphthalazine;6-tert-butylquinazoline;7-tert-butylquinazoline;6-tert-butyl-1H-quinazoline-2,4-dione;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc2[nH]c(=O)[nH]c(=O)c2c1.CC(C)(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CC(=O)O2.CC(C)(C)c1ccc2c(c1)CC=CC2=O.CC(C)(C)c1ccc2cc[nH]c(=O)c2c1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2ccncc2c1.CC(C)(C)c1ccc2ccnnc2c1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2cncnc2c1.CC(C)(C)c1ccc2cnncc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2ncncc2c1.CC(C)(C)c1ccc2nnccc2c1.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cnc2ccccc2c1.Cc1nc2ccccc2nc1C(C)(C)C.Cn1c(=O)ccc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C14H17NO.C14H16O.C13H16N2.2C13H15NO.7C13H15N.C12H14N2O2.6C12H14N2.C12H14O2.C11H14N2.41C2H6/c1-14(2,3)11-6-7-12-10(9-11)5-8-13(16)15(12)4;1-14(2,3)11-7-8-12-10(9-11)5-4-6-13(12)15;1-9-12(13(2,3)4)15-11-8-6-5-7-10(11)14-9;1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-13(2,3)10-5-4-9-6-7-14-12(15)11(9)8-10;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-12(2,3)7-4-5-9-8(6-7)10(15)14-11(16)13-9;1-12(2,3)10-4-5-11-9(6-10)7-13-8-14-11;1-12(2,3)11-5-4-9-7-13-14-8-10(9)6-11;1-12(2,3)10-5-4-9-7-13-8-14-11(9)6-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-14-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-5-4-9-6-7-13-14-11(9)8-10;1-12(2,3)9-4-5-10-8(6-9)7-11(13)14-10;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;41*1-2/h5-9H,1-4H3;4,6-9H,5H2,1-3H3;5-8H,1-4H3;2*4-8H,1-3H3,(H,14,15);7*4-9H,1-3H3;4-6H,1-3H3,(H2,13,14,15,16);6*4-8H,1-3H3;4-6H,7H2,1-3H3;4-7H,1-3H3,(H,12,13);41*1-2H3
InChIKeyHOUQAZSRVGLWSW-UHFFFAOYSA-N
MW5248.45 g/mol
LogP106.19
Rot. Bonds

About 5-tert-butyl-3H-1-benzofuran-2-one;6-tert-butylcinnoline;7-tert-butylcinnoline;5-tert-butyl-1H-indazole;6-tert-butylisoquinoline;7-tert-butylisoquinoline;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1-methylquinolin-2-one;2-tert-butyl-3-methylquinoxaline;6-tert-butyl-4H-naphthalen-1-one;6-tert-butylphthalazine;6-tert-butylquinazoline;7-tert-butylquinazoline;6-tert-butyl-1H-quinazoline-2,4-dione;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;ethane

5-tert-butyl-3H-1-benzofuran-2-one;6-tert-butylcinnoline;7-tert-butylcinnoline;5-tert-butyl-1H-indazole;6-tert-butylisoquinoline;7-tert-butylisoquinoline;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1-methylquinolin-2-one;2-tert-butyl-3-methylquinoxaline;6-tert-butyl-4H-naphthalen-1-one;6-tert-butylphthalazine;6-tert-butylquinazoline;7-tert-butylquinazoline;6-tert-butyl-1H-quinazoline-2,4-dione;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;ethane (PubChem CID 158543395) has the molecular formula C347H556N28O8 and a molecular weight of 5248.45 g/mol. Its IUPAC name is 5-tert-butyl-3H-1-benzofuran-2-one;6-tert-butylcinnoline;7-tert-butylcinnoline;5-tert-butyl-1H-indazole;6-tert-butylisoquinoline;7-tert-butylisoquinoline;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1-methylquinolin-2-one;2-tert-butyl-3-methylquinoxaline;6-tert-butyl-4H-naphthalen-1-one;6-tert-butylphthalazine;6-tert-butylquinazoline;7-tert-butylquinazoline;6-tert-butyl-1H-quinazoline-2,4-dione;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;ethane.

Molecular Properties

Compound Name5-tert-butyl-3H-1-benzofuran-2-one;6-tert-butylcinnoline;7-tert-butylcinnoline;5-tert-butyl-1H-indazole;6-tert-butylisoquinoline;7-tert-butylisoquinoline;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1-methylquinolin-2-one;2-tert-butyl-3-methylquinoxaline;6-tert-butyl-4H-naphthalen-1-one;6-tert-butylphthalazine;6-tert-butylquinazoline;7-tert-butylquinazoline;6-tert-butyl-1H-quinazoline-2,4-dione;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;ethane
PubChem CID158543395
Molecular FormulaC347H556N28O8
Molecular Weight5248.45 g/mol
Exact Mass5244.40
IUPAC Name5-tert-butyl-3H-1-benzofuran-2-one;6-tert-butylcinnoline;7-tert-butylcinnoline;5-tert-butyl-1H-indazole;6-tert-butylisoquinoline;7-tert-butylisoquinoline;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1-methylquinolin-2-one;2-tert-butyl-3-methylquinoxaline;6-tert-butyl-4H-naphthalen-1-one;6-tert-butylphthalazine;6-tert-butylquinazoline;7-tert-butylquinazoline;6-tert-butyl-1H-quinazoline-2,4-dione;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc2[nH]c(=O)[nH]c(=O)c2c1.CC(C)(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CC(=O)O2.CC(C)(C)c1ccc2c(c1)CC=CC2=O.CC(C)(C)c1ccc2cc[nH]c(=O)c2c1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2ccncc2c1.CC(C)(C)c1ccc2ccnnc2c1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2cncnc2c1.CC(C)(C)c1ccc2cnncc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2ncncc2c1.CC(C)(C)c1ccc2nnccc2c1.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cnc2ccccc2c1.Cc1nc2ccccc2nc1C(C)(C)C.Cn1c(=O)ccc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C14H17NO.C14H16O.C13H16N2.2C13H15NO.7C13H15N.C12H14N2O2.6C12H14N2.C12H14O2.C11H14N2.41C2H6/c1-14(2,3)11-6-7-12-10(9-11)5-8-13(16)15(12)4;1-14(2,3)11-7-8-12-10(9-11)5-4-6-13(12)15;1-9-12(13(2,3)4)15-11-8-6-5-7-10(11)14-9;1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-13(2,3)10-5-4-9-6-7-14-12(15)11(9)8-10;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-12(2,3)7-4-5-9-8(6-7)10(15)14-11(16)13-9;1-12(2,3)10-4-5-11-9(6-10)7-13-8-14-11;1-12(2,3)11-5-4-9-7-13-14-8-10(9)6-11;1-12(2,3)10-5-4-9-7-13-8-14-11(9)6-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-14-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-5-4-9-6-7-13-14-11(9)8-10;1-12(2,3)9-4-5-10-8(6-9)7-11(13)14-10;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;41*1-2/h5-9H,1-4H3;4,6-9H,5H2,1-3H3;5-8H,1-4H3;2*4-8H,1-3H3,(H,14,15);7*4-9H,1-3H3;4-6H,1-3H3,(H2,13,14,15,16);6*4-8H,1-3H3;4-6H,7H2,1-3H3;4-7H,1-3H3,(H,12,13);41*1-2H3
InChIKeyHOUQAZSRVGLWSW-UHFFFAOYSA-N
XLogP106.19
TPSA496.18 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds
Heavy Atoms383
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005248.45
LogP ≤ 5106.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze 5-tert-butyl-3H-1-benzofuran-2-one;6-tert-butylcinnoline;7-tert-butylcinnoline;5-tert-butyl-1H-indazole;6-tert-butylisoquinoline;7-tert-butylisoquinoline;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1-methylquinolin-2-one;2-tert-butyl-3-methylquinoxaline;6-tert-butyl-4H-naphthalen-1-one;6-tert-butylphthalazine;6-tert-butylquinazoline;7-tert-butylquinazoline;6-tert-butyl-1H-quinazoline-2,4-dione;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;ethane with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;N,N-dimethyl-4-propan-2-ylaniline;1-isoquinolin-1-yl-3-methylbutan-2-one;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;2-propan-2-yloxyethylbenzene;2-(propan-2-yloxymethyl)pyridine
CID 157758313
1-[[3-(1-benzofuran-5-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(1H-indazol-4-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-3-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;bis(1-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one)
CID 157335227
7-tert-butyl-4H-chromen-3-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butylisoindole-1,3-dione;8-tert-butyl-3-methylidene-4H-1,4-benzoxazine;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;5-tert-butyl-2-methylisoindole-1,3-dione;5-tert-butyl-2-prop-2-enylisoindole-1,3-dione;5-tert-butyl-2-propylisoindole-1,3-dione;5-tert-butyl-2-pyridin-2-ylisoindole-1,3-dione;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157338514
5-tert-butyl-1-propan-2-yl-2,3-dihydroindole;5-tert-butyl-1-propan-2-ylindazole;5-tert-butyl-1-propan-2-ylindole;1,4-ditert-butylbenzene;1,5-ditert-butylbenzimidazole;3,6-ditert-butyl-1H-benzimidazol-2-one;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butylnaphthalene;2,5-ditert-butylpyridine;2,6-ditert-butylquinoline;2,6-ditert-butyl-1,2,3,4-tetrahydroquinoline
CID 157561372
tert-butylbenzene;6-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-fluorobenzene;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;1,5-dimethyl-3-(4-propan-2-ylphenoxy)pyrazole;ethane;morpholin-4-yl-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)methanone;phenyl-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone;2-propan-2-yldibenzofuran;1-propan-2-ylpiperidine;3-propan-2-ylpyridine
CID 157561539
7-tert-butyl-4H-chromen-3-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butylisoindole-1,3-dione;8-tert-butyl-3-methylidene-4H-1,4-benzoxazine;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-2-methylisoindole-1,3-dione;5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;6-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-2-prop-2-enylisoindole-1,3-dione;5-tert-butyl-2-propylisoindole-1,3-dione;5-tert-butyl-2-pyridin-2-ylisoindole-1,3-dione;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157980568
Tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,2-benzoxazole;6-tert-butylcinnoline;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;7-tert-butylquinazoline
CID 158035897
2-[9,10-Bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one;8-(10-dibenzofuran-4-ylanthracen-9-yl)-5-phenylphenanthridin-6-one;2-[9-[4-(2-ethylbenzimidazol-1-yl)phenyl]-10-(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one;5-[6-(6-oxophenanthridin-5-yl)-9,10-diphenylanthracen-2-yl]phenanthridin-6-one;5-phenyl-8-[10-(4-phenylphenyl)anthracen-9-yl]phenanthridin-6-one;5-phenyl-2-[10-(4-phenylphenyl)-9-pyrimidin-5-ylanthracen-2-yl]phenanthridin-6-one
CID 158155485
5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;2-tert-butylnaphthalene;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylquinoline;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;3-(2,2-dimethylpropyl)pyridine
CID 158455532
4-[[3-(1-benzofuran-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one;4-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one;4-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one;4-[[3-(1H-indazol-4-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one;4-[(3-indolizin-3-ylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one;4-[(3-indolizin-6-ylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one;bis(4-[(3-naphthalen-2-ylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one)
CID 158545034
1-[2-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide;1-(2-imidazol-1-ylbenzoyl)-N-(4-methylphenyl)piperidine-3-carboxamide;1-(1H-indazole-3-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide;1-(1H-indole-5-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide;1-(3H-indole-2-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide;1-(3H-isoindole-5-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide;N-(4-methylphenyl)-1-(2-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide
CID 158684903
CID 158795566
CID 158795566

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3H-1-benzofuran-2-one;6-tert-butylcinnoline;7-tert-butylcinnoline;5-tert-butyl-1H-indazole;6-tert-butylisoquinoline;7-tert-butylisoquinoline;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1-methylquinolin-2-one;2-tert-butyl-3-methylquinoxaline;6-tert-butyl-4H-naphthalen-1-one;6-tert-butylphthalazine;6-tert-butylquinazoline;7-tert-butylquinazoline;6-tert-butyl-1H-quinazoline-2,4-dione;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;ethane?
The IUPAC name of 5-tert-butyl-3H-1-benzofuran-2-one;6-tert-butylcinnoline;7-tert-butylcinnoline;5-tert-butyl-1H-indazole;6-tert-butylisoquinoline;7-tert-butylisoquinoline;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1-methylquinolin-2-one;2-tert-butyl-3-methylquinoxaline;6-tert-butyl-4H-naphthalen-1-one;6-tert-butylphthalazine;6-tert-butylquinazoline;7-tert-butylquinazoline;6-tert-butyl-1H-quinazoline-2,4-dione;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;ethane (CID 158543395) is 5-tert-butyl-3H-1-benzofuran-2-one;6-tert-butylcinnoline;7-tert-butylcinnoline;5-tert-butyl-1H-indazole;6-tert-butylisoquinoline;7-tert-butylisoquinoline;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1-methylquinolin-2-one;2-tert-butyl-3-methylquinoxaline;6-tert-butyl-4H-naphthalen-1-one;6-tert-butylphthalazine;6-tert-butylquinazoline;7-tert-butylquinazoline;6-tert-butyl-1H-quinazoline-2,4-dione;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;ethane.
What is the SMILES notation for 5-tert-butyl-3H-1-benzofuran-2-one;6-tert-butylcinnoline;7-tert-butylcinnoline;5-tert-butyl-1H-indazole;6-tert-butylisoquinoline;7-tert-butylisoquinoline;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1-methylquinolin-2-one;2-tert-butyl-3-methylquinoxaline;6-tert-butyl-4H-naphthalen-1-one;6-tert-butylphthalazine;6-tert-butylquinazoline;7-tert-butylquinazoline;6-tert-butyl-1H-quinazoline-2,4-dione;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;ethane?
The canonical SMILES for 5-tert-butyl-3H-1-benzofuran-2-one;6-tert-butylcinnoline;7-tert-butylcinnoline;5-tert-butyl-1H-indazole;6-tert-butylisoquinoline;7-tert-butylisoquinoline;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1-methylquinolin-2-one;2-tert-butyl-3-methylquinoxaline;6-tert-butyl-4H-naphthalen-1-one;6-tert-butylphthalazine;6-tert-butylquinazoline;7-tert-butylquinazoline;6-tert-butyl-1H-quinazoline-2,4-dione;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc2[nH]c(=O)[nH]c(=O)c2c1.CC(C)(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CC(=O)O2.CC(C)(C)c1ccc2c(c1)CC=CC2=O.CC(C)(C)c1ccc2cc[nH]c(=O)c2c1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2ccncc2c1.CC(C)(C)c1ccc2ccnnc2c1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2cncnc2c1.CC(C)(C)c1ccc2cnncc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2ncncc2c1.CC(C)(C)c1ccc2nnccc2c1.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cnc2ccccc2c1.Cc1nc2ccccc2nc1C(C)(C)C.Cn1c(=O)ccc2cc(C(C)(C)C)ccc21.
What is the InChIKey of 5-tert-butyl-3H-1-benzofuran-2-one;6-tert-butylcinnoline;7-tert-butylcinnoline;5-tert-butyl-1H-indazole;6-tert-butylisoquinoline;7-tert-butylisoquinoline;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1-methylquinolin-2-one;2-tert-butyl-3-methylquinoxaline;6-tert-butyl-4H-naphthalen-1-one;6-tert-butylphthalazine;6-tert-butylquinazoline;7-tert-butylquinazoline;6-tert-butyl-1H-quinazoline-2,4-dione;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;ethane?
The InChIKey is HOUQAZSRVGLWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO.C14H16O.C13H16N2.2C13H15NO.7C13H15N.C12H14N2O2.6C12H14N2.C12H14O2.C11H14N2.41C2H6/c1-14(2,3)11-6-7-12-10(9-11)5-8-13(16)15(12)4;1-14(2,3)11-7-8-12-10(9-11)5-4-6-13(12)15;1-9-12(13(2,3)4)15-11-8-6-5-7-10(11)14-9;1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-13(2,3)10-5-4-9-6-7-14-12(15)11(9)8-10;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-12(2,3)7-4-5-9-8(6-7)10(15)14-11(16)13-9;1-12(2,3)10-4-5-11-9(6-10)7-13-8-14-11;1-12(2,3)11-5-4-9-7-13-14-8-10(9)6-11;1-12(2,3)10-5-4-9-7-13-8-14-11(9)6-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-14-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-5-4-9-6-7-13-14-11(9)8-10;1-12(2,3)9-4-5-10-8(6-9)7-11(13)14-10;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;41*1-2/h5-9H,1-4H3;4,6-9H,5H2,1-3H3;5-8H,1-4H3;2*4-8H,1-3H3,(H,14,15);7*4-9H,1-3H3;4-6H,1-3H3,(H2,13,14,15,16);6*4-8H,1-3H3;4-6H,7H2,1-3H3;4-7H,1-3H3,(H,12,13);41*1-2H3.
What are the key properties of 5-tert-butyl-3H-1-benzofuran-2-one;6-tert-butylcinnoline;7-tert-butylcinnoline;5-tert-butyl-1H-indazole;6-tert-butylisoquinoline;7-tert-butylisoquinoline;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1-methylquinolin-2-one;2-tert-butyl-3-methylquinoxaline;6-tert-butyl-4H-naphthalen-1-one;6-tert-butylphthalazine;6-tert-butylquinazoline;7-tert-butylquinazoline;6-tert-butyl-1H-quinazoline-2,4-dione;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;ethane?
5-tert-butyl-3H-1-benzofuran-2-one;6-tert-butylcinnoline;7-tert-butylcinnoline;5-tert-butyl-1H-indazole;6-tert-butylisoquinoline;7-tert-butylisoquinoline;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1-methylquinolin-2-one;2-tert-butyl-3-methylquinoxaline;6-tert-butyl-4H-naphthalen-1-one;6-tert-butylphthalazine;6-tert-butylquinazoline;7-tert-butylquinazoline;6-tert-butyl-1H-quinazoline-2,4-dione;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;ethane has a molecular weight of 5248.45 g/mol, XLogP of 106.19, 0 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3H-1-benzofuran-2-one;6-tert-butylcinnoline;7-tert-butylcinnoline;5-tert-butyl-1H-indazole;6-tert-butylisoquinoline;7-tert-butylisoquinoline;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1-methylquinolin-2-one;2-tert-butyl-3-methylquinoxaline;6-tert-butyl-4H-naphthalen-1-one;6-tert-butylphthalazine;6-tert-butylquinazoline;7-tert-butylquinazoline;6-tert-butyl-1H-quinazoline-2,4-dione;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;ethane is sourced from PubChem (CID 158543395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).