About 3-(1,3-benzoxazol-2-ylmethyl)-1-(2-bromo-3-pyridinyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(4-chloro-1-methylpyrazol-5-yl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2-chloro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-isoquinolin-8-one
3-(1,3-benzoxazol-2-ylmethyl)-1-(2-bromo-3-pyridinyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(4-chloro-1-methylpyrazol-5-yl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2-chloro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-isoquinolin-8-one (PubChem CID 160819641) has the molecular formula C157H128BrCl5F6N20O14
and a molecular weight of 2890.03 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-ylmethyl)-1-(2-bromo-3-pyridinyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(4-chloro-1-methylpyrazol-5-yl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2-chloro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-isoquinolin-8-one.
Frequently Asked Questions
What is the IUPAC name of 3-(1,3-benzoxazol-2-ylmethyl)-1-(2-bromo-3-pyridinyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(4-chloro-1-methylpyrazol-5-yl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2-chloro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-isoquinolin-8-one?
The IUPAC name of 3-(1,3-benzoxazol-2-ylmethyl)-1-(2-bromo-3-pyridinyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(4-chloro-1-methylpyrazol-5-yl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2-chloro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-isoquinolin-8-one (CID 160819641) is 3-(1,3-benzoxazol-2-ylmethyl)-1-(2-bromo-3-pyridinyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(4-chloro-1-methylpyrazol-5-yl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2-chloro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-isoquinolin-8-one.
What is the SMILES notation for 3-(1,3-benzoxazol-2-ylmethyl)-1-(2-bromo-3-pyridinyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(4-chloro-1-methylpyrazol-5-yl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2-chloro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-isoquinolin-8-one?
The canonical SMILES for 3-(1,3-benzoxazol-2-ylmethyl)-1-(2-bromo-3-pyridinyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(4-chloro-1-methylpyrazol-5-yl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2-chloro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-isoquinolin-8-one is Cn1ncc(Cl)c1C1N=C(Cc2nc3ccccc3o2)CC2=C1C(=O)CCC2.O=C1CCCC2=C1C(c1c(Cl)cccc1Cl)N=C(Cc1nc3ccccc3o1)C2.O=C1CCCC2=C1C(c1ccccc1Cl)N=C(Cc1nc3ccccc3o1)C2.O=C1CCCC2=C1C(c1cccnc1Br)N=C(Cc1nc3ccccc3o1)C2.O=C1CCCC2=C1C(c1cccnc1Cl)N=C(Cc1nc3ccccc3o1)C2.O=C1CCCC2=C1C(c1cnccc1C(F)(F)F)N=C(Cc1nc3ccccc3o1)C2.O=C1CCCC2=C1C(c1ncccc1C(F)(F)F)N=C(Cc1nc3ccccc3o1)C2.
What is the InChIKey of 3-(1,3-benzoxazol-2-ylmethyl)-1-(2-bromo-3-pyridinyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(4-chloro-1-methylpyrazol-5-yl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2-chloro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-isoquinolin-8-one?
The InChIKey is SFJDLDSTCHBGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O2.C23H19ClN2O2.2C23H18F3N3O2.C22H18BrN3O2.C22H18ClN3O2.C21H19ClN4O2/c24-15-6-4-7-16(25)22(15)23-21-13(5-3-9-18(21)28)11-14(26-23)12-20-27-17-8-1-2-10-19(17)29-20;24-17-8-2-1-7-16(17)23-22-14(6-5-10-19(22)27)12-15(25-23)13-21-26-18-9-3-4-11-20(18)28-21;24-23(25,26)15-6-4-10-27-21(15)22-20-13(5-3-8-17(20)30)11-14(28-22)12-19-29-16-7-1-2-9-18(16)31-19;24-23(25,26)16-8-9-27-12-15(16)22-21-13(4-3-6-18(21)30)10-14(28-22)11-20-29-17-5-1-2-7-19(17)31-20;2*23-22-15(6-4-10-24-22)21-20-13(5-3-8-17(20)27)11-14(25-21)12-19-26-16-7-1-2-9-18(16)28-19;1-26-21(14(22)11-23-26)20-19-12(5-4-7-16(19)27)9-13(24-20)10-18-25-15-6-2-3-8-17(15)28-18/h1-2,4,6-8,10,23H,3,5,9,11-12H2;1-4,7-9,11,23H,5-6,10,12-13H2;1-2,4,6-7,9-10,22H,3,5,8,11-12H2;1-2,5,7-9,12,22H,3-4,6,10-11H2;2*1-2,4,6-7,9-10,21H,3,5,8,11-12H2;2-3,6,8,11,20H,4-5,7,9-10H2,1H3.
What are the key properties of 3-(1,3-benzoxazol-2-ylmethyl)-1-(2-bromo-3-pyridinyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(4-chloro-1-methylpyrazol-5-yl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2-chloro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-isoquinolin-8-one?
3-(1,3-benzoxazol-2-ylmethyl)-1-(2-bromo-3-pyridinyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(4-chloro-1-methylpyrazol-5-yl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2-chloro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-isoquinolin-8-one has a molecular weight of 2890.03 g/mol, XLogP of 37.42, 21 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-ylmethyl)-1-(2-bromo-3-pyridinyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(4-chloro-1-methylpyrazol-5-yl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2-chloro-3-pyridinyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-isoquinolin-8-one;3-(1,3-benzoxazol-2-ylmethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-isoquinolin-8-one is sourced from PubChem (CID 160819641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).