About 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(3-hydroxypropylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-ethylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-6-carboxamide
5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(3-hydroxypropylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-ethylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-6-carboxamide (PubChem CID 160855609) has the molecular formula C182H217N25O23
and a molecular weight of 3122.89 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(3-hydroxypropylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-ethylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-6-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(3-hydroxypropylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-ethylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-6-carboxamide?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(3-hydroxypropylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-ethylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-6-carboxamide (CID 160855609) is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(3-hydroxypropylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-ethylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(3-hydroxypropylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-ethylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-6-carboxamide?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(3-hydroxypropylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-ethylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-6-carboxamide is CC1=NN(c2ccc(C(=O)NCC(O)CN3CCc4ccccc4C3)cc2)C(=O)C1.CCN1CCN(Cc2cccc(C(=O)NCC(O)CN3CCc4ccccc4C3)c2)CC1.Cc1ccc2cc(C(=O)NCC(O)CN3CCc4ccccc4C3)ccc2n1.O=C(CCC(O)CN1CCc2ccccc2C1)c1cccc(NCCCO)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccc2c(c1)OCCN2.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccc2nccnc2c1.O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cccc(OC2CCOCC2)c1.O=C1COc2cc(C(=O)NCC(O)CN3CCc4ccccc4C3)ccc2N1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(3-hydroxypropylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-ethylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-6-carboxamide?
The InChIKey is SJUPULFEGFONSX-VMFRHDKSSA-N. The full InChI is InChI=1S/C26H36N4O2.C24H30N2O4.C23H26N4O3.C23H25N3O2.C23H30N2O3.C21H22N4O2.C21H23N3O4.C21H25N3O3/c1-2-28-12-14-29(15-13-28)18-21-6-5-9-23(16-21)26(32)27-17-25(31)20-30-11-10-22-7-3-4-8-24(22)19-30;27-21(17-26-11-8-18-4-1-2-5-20(18)16-26)15-25-24(28)19-6-3-7-23(14-19)30-22-9-12-29-13-10-22;1-16-12-22(29)27(25-16)20-8-6-18(7-9-20)23(30)24-13-21(28)15-26-11-10-17-4-2-3-5-19(17)14-26;1-16-6-7-18-12-19(8-9-22(18)25-16)23(28)24-13-21(27)15-26-11-10-17-4-2-3-5-20(17)14-26;26-14-4-12-24-21-8-3-7-19(15-21)23(28)10-9-22(27)17-25-13-11-18-5-1-2-6-20(18)16-25;26-18(14-25-10-7-15-3-1-2-4-17(15)13-25)12-24-21(27)16-5-6-19-20(11-16)23-9-8-22-19;25-17(12-24-8-7-14-3-1-2-4-16(14)11-24)10-22-21(27)15-5-6-18-19(9-15)28-13-20(26)23-18;25-18(14-24-9-7-15-3-1-2-4-17(15)13-24)12-23-21(26)16-5-6-19-20(11-16)27-10-8-22-19/h3-9,16,25,31H,2,10-15,17-20H2,1H3,(H,27,32);1-7,14,21-22,27H,8-13,15-17H2,(H,25,28);2-9,21,28H,10-15H2,1H3,(H,24,30);2-9,12,21,27H,10-11,13-15H2,1H3,(H,24,28);1-3,5-8,15,22,24,26-27H,4,9-14,16-17H2;1-6,8-9,11,18,26H,7,10,12-14H2,(H,24,27);1-6,9,17,25H,7-8,10-13H2,(H,22,27)(H,23,26);1-6,11,18,22,25H,7-10,12-14H2,(H,23,26)/t;21-;;;;;;/m.1....../s1.
What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(3-hydroxypropylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-ethylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-6-carboxamide?
5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(3-hydroxypropylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-ethylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-6-carboxamide has a molecular weight of 3122.89 g/mol, XLogP of 16.46, 51 rotatable bonds, 19 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(3-hydroxypropylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-ethylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinoline-6-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-yloxy)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 160855609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).