7-tert-butyl-4H-1,4-benzothiazin-3-one;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylisoquinoline;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

C226H285N21O12S — CID 157453065

IUPAC7-tert-butyl-4H-1,4-benzothiazin-3-one;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylisoquinoline;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
SMILESCC(C)(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(=O)[nH][nH]c(=O)c2c1.CC(C)(C)c1ccc2c(=O)[nH]ccc2c1.CC(C)(C)c1ccc2c(c1)C(=O)NCC2.CC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccc2c(c1)CCNC2=O.CC(C)(C)c1ccc2c(c1)CN=C2.CC(C)(C)c1ccc2c(c1)NC(=O)CC2.CC(C)(C)c1ccc2c(c1)SCC(=O)N2.CC(C)(C)c1ccc2cc[nH]c(=O)c2c1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1nc2ccccn2n1.COC(=O)N1CCc2cc(C(C)(C)C)ccc2C1
InChIInChI=1S/C15H21NO2.C13H17NO.C13H15NO.2C13H17NO.C13H15NO.C13H17NO.C13H15NO.C13H19N.C13H15N.C13H16.C12H14N2O2.C12H15NOS.3C12H15N.C11H14N2.C10H13N3/c1-15(2,3)13-6-5-12-10-16(14(17)18-4)8-7-11(12)9-13;2*1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-13(2,3)10-6-4-9-5-7-12(15)14-11(9)8-10;2*1-13(2,3)10-4-5-11-9(8-10)6-7-14-12(11)15;2*1-13(2,3)10-5-4-9-6-7-14-12(15)11(9)8-10;2*1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)7-4-5-8-9(6-7)11(16)14-13-10(8)15;1-12(2,3)8-4-5-9-10(6-8)15-7-11(14)13-9;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;2*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-10(2,3)9-11-8-6-4-5-7-13(8)12-9/h5-6,9H,7-8,10H2,1-4H3;5-6,8H,4,7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4,6,8H,5,7H2,1-3H3,(H,14,15);4-5,8H,6-7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4-5,8H,6-7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4-5,8,14H,6-7,9H2,1-3H3;4-9H,1-3H3;4-5,7-9H,6H2,1-3H3;4-6H,1-3H3,(H,13,15)(H,14,16);4-6H,7H2,1-3H3,(H,13,14);4-7H,8H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3
InChIKeyBTAFZSVTWCLSIM-UHFFFAOYSA-N
MW3519.97 g/mol
LogP50.63
Rot. Bonds

About 7-tert-butyl-4H-1,4-benzothiazin-3-one;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylisoquinoline;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

7-tert-butyl-4H-1,4-benzothiazin-3-one;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylisoquinoline;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate (PubChem CID 157453065) has the molecular formula C226H285N21O12S and a molecular weight of 3519.97 g/mol. Its IUPAC name is 7-tert-butyl-4H-1,4-benzothiazin-3-one;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylisoquinoline;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate.

Molecular Properties

Compound Name7-tert-butyl-4H-1,4-benzothiazin-3-one;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylisoquinoline;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
PubChem CID157453065
Molecular FormulaC226H285N21O12S
Molecular Weight3519.97 g/mol
Exact Mass3517.21
IUPAC Name7-tert-butyl-4H-1,4-benzothiazin-3-one;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylisoquinoline;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
SMILESCC(C)(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(=O)[nH][nH]c(=O)c2c1.CC(C)(C)c1ccc2c(=O)[nH]ccc2c1.CC(C)(C)c1ccc2c(c1)C(=O)NCC2.CC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccc2c(c1)CCNC2=O.CC(C)(C)c1ccc2c(c1)CN=C2.CC(C)(C)c1ccc2c(c1)NC(=O)CC2.CC(C)(C)c1ccc2c(c1)SCC(=O)N2.CC(C)(C)c1ccc2cc[nH]c(=O)c2c1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1nc2ccccn2n1.COC(=O)N1CCc2cc(C(C)(C)C)ccc2C1
InChIInChI=1S/C15H21NO2.C13H17NO.C13H15NO.2C13H17NO.C13H15NO.C13H17NO.C13H15NO.C13H19N.C13H15N.C13H16.C12H14N2O2.C12H15NOS.3C12H15N.C11H14N2.C10H13N3/c1-15(2,3)13-6-5-12-10-16(14(17)18-4)8-7-11(12)9-13;2*1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-13(2,3)10-6-4-9-5-7-12(15)14-11(9)8-10;2*1-13(2,3)10-4-5-11-9(8-10)6-7-14-12(11)15;2*1-13(2,3)10-5-4-9-6-7-14-12(15)11(9)8-10;2*1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)7-4-5-8-9(6-7)11(16)14-13-10(8)15;1-12(2,3)8-4-5-9-10(6-8)15-7-11(14)13-9;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;2*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-10(2,3)9-11-8-6-4-5-7-13(8)12-9/h5-6,9H,7-8,10H2,1-4H3;5-6,8H,4,7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4,6,8H,5,7H2,1-3H3,(H,14,15);4-5,8H,6-7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4-5,8H,6-7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4-5,8,14H,6-7,9H2,1-3H3;4-9H,1-3H3;4-5,7-9H,6H2,1-3H3;4-6H,1-3H3,(H,13,15)(H,14,16);4-6H,7H2,1-3H3,(H,13,14);4-7H,8H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3
InChIKeyBTAFZSVTWCLSIM-UHFFFAOYSA-N
XLogP50.63
TPSA463.64 Ų
H-Bond Donors13
H-Bond Acceptors21
Rotatable Bonds
Heavy Atoms260
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003519.97
LogP ≤ 550.63
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1021

Analyze 7-tert-butyl-4H-1,4-benzothiazin-3-one;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylisoquinoline;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-1,8-naphthyridine;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;7-propan-2-ylpyrido[2,3-b]pyrazine;8-propan-2-ylpyrido[3,4-d]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;7-propan-2-yl-1H-quinazolin-2-one;7-propan-2-yl-1H-quinoxalin-2-one
CID 157254143
7-tert-butyl-4H-1,4-benzothiazin-3-one;2-tert-butyl-3,4-dihydro-1H-isoquinoline;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylisoquinoline;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 157611614
N-[3-[4-(1H-indol-7-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;5-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]thiophene-2-carboxamide;N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide
CID 157964236
6-tert-butyl-3H-1,3-benzothiazol-2-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butylisoquinolin-3-amine;6-tert-butylisoquinoline;5-tert-butyl-N-methyl-1H-indazol-3-amine;6-tert-butyl-1-methylindazol-3-amine;5-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-N-methylisoquinolin-3-amine;2-tert-butyl-1,6-naphthyridine;6-tert-butylphthalazine;6-tert-butyl-2H-phthalazin-1-one;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-c]pyridine;methane
CID 158600204
5-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;N-[2,2-dimethyl-3-[4-(1-methylindazol-5-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;1,4-dimethyl-N-[3-(4-quinolin-6-ylphenyl)propyl]pyrrole-2-carboxamide;5-[4-(1-methylbenzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;5-[4-(6-methyl-1H-indazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;5-[4-(7-methyl-1H-indazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;2-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;6-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;5-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;5-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;1-pyridin-3-yl-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]pentan-2-one;N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide
CID 158758337
4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;3-propan-2-yl-2H-indazole;7-propan-2-yl-1H-indazole;3-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-1,8-naphthyridine;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;7-propan-2-ylpyrido[3,4-b]pyrazine;8-propan-2-ylpyrido[3,4-d]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;7-propan-2-yl-1H-quinazolin-2-one;7-propan-2-yl-1H-quinoxalin-2-one
CID 159218607
3H-1,3-benzothiazol-2-one;2H-benzotriazole;1,3-dihydroindol-2-one;2,3-dihydroisoindol-1-one;7,8-dihydro-6H-1,6-naphthyridin-5-one;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indazole;1H-indole;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine
CID 159672426
2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylisoquinoline;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;8-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 159774359
6-tert-butyl-1H-benzimidazole;7-tert-butyl-4H-1,4-benzothiazin-3-one;2-tert-butyl-3,4-dihydro-1H-isoquinoline;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;7-tert-butyl-1H-quinolin-2-one
CID 160627808
CID 160779012
CID 160779012
5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-benzylpyridine-3-carboxamide;[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-(4-methylpiperazin-1-yl)methanone;[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-thiomorpholin-4-ylmethanone;2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-3,8-dihydroimidazo[4,5-h]isoquinolin-9-one
CID 160971109
4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;3-propan-2-yl-2H-indazole;7-propan-2-yl-1H-indazole;3-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-1,8-naphthyridine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;7-propan-2-ylpyrido[3,4-b]pyrazine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;7-propan-2-yl-1H-quinazolin-2-one;7-propan-2-yl-1H-quinoxalin-2-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 161396379

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-4H-1,4-benzothiazin-3-one;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylisoquinoline;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
The IUPAC name of 7-tert-butyl-4H-1,4-benzothiazin-3-one;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylisoquinoline;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate (CID 157453065) is 7-tert-butyl-4H-1,4-benzothiazin-3-one;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylisoquinoline;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate.
What is the SMILES notation for 7-tert-butyl-4H-1,4-benzothiazin-3-one;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylisoquinoline;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
The canonical SMILES for 7-tert-butyl-4H-1,4-benzothiazin-3-one;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylisoquinoline;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate is CC(C)(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(=O)[nH][nH]c(=O)c2c1.CC(C)(C)c1ccc2c(=O)[nH]ccc2c1.CC(C)(C)c1ccc2c(c1)C(=O)NCC2.CC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccc2c(c1)CCNC2=O.CC(C)(C)c1ccc2c(c1)CN=C2.CC(C)(C)c1ccc2c(c1)NC(=O)CC2.CC(C)(C)c1ccc2c(c1)SCC(=O)N2.CC(C)(C)c1ccc2cc[nH]c(=O)c2c1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1nc2ccccn2n1.COC(=O)N1CCc2cc(C(C)(C)C)ccc2C1.
What is the InChIKey of 7-tert-butyl-4H-1,4-benzothiazin-3-one;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylisoquinoline;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
The InChIKey is BTAFZSVTWCLSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.C13H17NO.C13H15NO.2C13H17NO.C13H15NO.C13H17NO.C13H15NO.C13H19N.C13H15N.C13H16.C12H14N2O2.C12H15NOS.3C12H15N.C11H14N2.C10H13N3/c1-15(2,3)13-6-5-12-10-16(14(17)18-4)8-7-11(12)9-13;2*1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-13(2,3)10-6-4-9-5-7-12(15)14-11(9)8-10;2*1-13(2,3)10-4-5-11-9(8-10)6-7-14-12(11)15;2*1-13(2,3)10-5-4-9-6-7-14-12(15)11(9)8-10;2*1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)7-4-5-8-9(6-7)11(16)14-13-10(8)15;1-12(2,3)8-4-5-9-10(6-8)15-7-11(14)13-9;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;2*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-10(2,3)9-11-8-6-4-5-7-13(8)12-9/h5-6,9H,7-8,10H2,1-4H3;5-6,8H,4,7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4,6,8H,5,7H2,1-3H3,(H,14,15);4-5,8H,6-7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4-5,8H,6-7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4-5,8,14H,6-7,9H2,1-3H3;4-9H,1-3H3;4-5,7-9H,6H2,1-3H3;4-6H,1-3H3,(H,13,15)(H,14,16);4-6H,7H2,1-3H3,(H,13,14);4-7H,8H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3.
What are the key properties of 7-tert-butyl-4H-1,4-benzothiazin-3-one;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylisoquinoline;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
7-tert-butyl-4H-1,4-benzothiazin-3-one;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylisoquinoline;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate has a molecular weight of 3519.97 g/mol, XLogP of 50.63, 0 rotatable bonds, 13 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-4H-1,4-benzothiazin-3-one;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylisoquinoline;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate is sourced from PubChem (CID 157453065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).