5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(4-oxopentyl)phenyl]pentan-1-one;4-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]-N-methylbutanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide

C249H319F3N32O30S — CID 159382095

About 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(4-oxopentyl)phenyl]pentan-1-one;4-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]-N-methylbutanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide

5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(4-oxopentyl)phenyl]pentan-1-one;4-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]-N-methylbutanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide (PubChem CID 159382095) has the molecular formula C249H319F3N32O30S and a molecular weight of 4329.55 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(4-oxopentyl)phenyl]pentan-1-one;4-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]-N-methylbutanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

• Compound Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(4-oxopentyl)phenyl]pentan-1-one;4-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]-N-methylbutanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide
• PubChem CID: 159382095
• Molecular Formula: C249H319F3N32O30S
• Molecular Weight: 4329.55 g/mol
• Exact Mass: 4326.41
• IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(4-oxopentyl)phenyl]pentan-1-one;4-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]-N-methylbutanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide
• SMILES: CC(=O)CCCc1cccc(C(=O)CCC(O)CN2CCc3ccccc3C2)c1.CN(C[C@H](O)CN1CCc2ccccc2C1)C(=O)c1cccc(CC2CCOCC2)c1.CN1CCN(Cc2cccc(C(=O)NCC(O)CN3CCc4ccccc4C3)c2)C(CO)C1.CNC(=O)CCCc1cccc(C(=O)CCC(O)CN2CCc3ccccc3C2)c1.COCCN1CCN(Cc2cccc(C(=O)NCC(O)CN3CCc4ccccc4C3)c2)CC1.CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NCC(O)CN3CCc4ccccc4C3)cc2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccc(-n2cncn2)cc1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccc(OC2CCN(CC(F)(F)F)CC2)cc1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CN2CCN(CCO)CC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cn[nH]c1-c1ccccc1
• InChI: InChI=1S/C27H38N4O3.C26H32F3N3O3.2C26H36N4O3.C26H34N2O3.C25H33N3O5S.C25H32N2O3.C25H31NO3.C22H24N4O2.C21H23N5O2/c1-34-16-15-29-11-13-30(14-12-29)19-22-5-4-8-24(17-22)27(33)28-18-26(32)21-31-10-9-23-6-2-3-7-25(23)20-31;27-26(28,29)18-31-13-10-24(11-14-31)35-23-7-5-20(6-8-23)25(34)30-15-22(33)17-32-12-9-19-3-1-2-4-21(19)16-32;1-28-11-12-30(24(17-28)19-31)15-20-5-4-8-22(13-20)26(33)27-14-25(32)18-29-10-9-21-6-2-3-7-23(21)16-29;31-15-14-28-10-12-29(13-11-28)18-21-4-3-7-23(16-21)26(33)27-17-25(32)20-30-9-8-22-5-1-2-6-24(22)19-30;1-27(18-25(29)19-28-12-9-22-6-2-3-7-24(22)17-28)26(30)23-8-4-5-21(16-23)15-20-10-13-31-14-11-20;1-34(31,32)28-14-11-24(12-15-28)33-23-8-6-20(7-9-23)25(30)26-16-22(29)18-27-13-10-19-4-2-3-5-21(19)17-27;1-26-25(30)11-5-7-19-6-4-10-21(16-19)24(29)13-12-23(28)18-27-15-14-20-8-2-3-9-22(20)17-27;1-19(27)6-4-7-20-8-5-11-22(16-20)25(29)13-12-24(28)18-26-15-14-21-9-2-3-10-23(21)17-26;27-19(15-26-11-10-16-6-4-5-9-18(16)14-26)12-23-22(28)20-13-24-25-21(20)17-7-2-1-3-8-17;27-20(13-25-10-9-16-3-1-2-4-18(16)12-25)11-23-21(28)17-5-7-19(8-6-17)26-15-22-14-24-26/h2-8,17,26,32H,9-16,18-21H2,1H3,(H,28,33);1-8,22,24,33H,9-18H2,(H,30,34);2-8,13,24-25,31-32H,9-12,14-19H2,1H3,(H,27,33);1-7,16,25,31-32H,8-15,17-20H2,(H,27,33);2-8,16,20,25,29H,9-15,17-19H2,1H3;2-9,22,24,29H,10-18H2,1H3,(H,26,30);2-4,6,8-10,16,23,28H,5,7,11-15,17-18H2,1H3,(H,26,30);2-3,5,8-11,16,24,28H,4,6-7,12-15,17-18H2,1H3;1-9,13,19,27H,10-12,14-15H2,(H,23,28)(H,24,25);1-8,14-15,20,27H,9-13H2,(H,23,28)/t;;;;25-;;;;;/m....0...../s1
• InChIKey: LLASLVUNQVFCOE-UKVYDESSSA-N
• XLogP: 22.28
• TPSA: 735.85 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 51
• Rotatable Bonds: 82
• Heavy Atoms: 315
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4329.55
LogP ≤ 5	22.28
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	51

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(4-oxopentyl)phenyl]pentan-1-one;4-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]-N-methylbutanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide?

The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(4-oxopentyl)phenyl]pentan-1-one;4-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]-N-methylbutanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide (CID 159382095) is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(4-oxopentyl)phenyl]pentan-1-one;4-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]-N-methylbutanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide.

What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(4-oxopentyl)phenyl]pentan-1-one;4-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]-N-methylbutanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide?

The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(4-oxopentyl)phenyl]pentan-1-one;4-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]-N-methylbutanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide is CC(=O)CCCc1cccc(C(=O)CCC(O)CN2CCc3ccccc3C2)c1.CN(C[C@H](O)CN1CCc2ccccc2C1)C(=O)c1cccc(CC2CCOCC2)c1.CN1CCN(Cc2cccc(C(=O)NCC(O)CN3CCc4ccccc4C3)c2)C(CO)C1.CNC(=O)CCCc1cccc(C(=O)CCC(O)CN2CCc3ccccc3C2)c1.COCCN1CCN(Cc2cccc(C(=O)NCC(O)CN3CCc4ccccc4C3)c2)CC1.CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NCC(O)CN3CCc4ccccc4C3)cc2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccc(-n2cncn2)cc1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccc(OC2CCN(CC(F)(F)F)CC2)cc1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CN2CCN(CCO)CC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cn[nH]c1-c1ccccc1.

What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(4-oxopentyl)phenyl]pentan-1-one;4-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]-N-methylbutanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide?

The InChIKey is LLASLVUNQVFCOE-UKVYDESSSA-N. The full InChI is InChI=1S/C27H38N4O3.C26H32F3N3O3.2C26H36N4O3.C26H34N2O3.C25H33N3O5S.C25H32N2O3.C25H31NO3.C22H24N4O2.C21H23N5O2/c1-34-16-15-29-11-13-30(14-12-29)19-22-5-4-8-24(17-22)27(33)28-18-26(32)21-31-10-9-23-6-2-3-7-25(23)20-31;27-26(28,29)18-31-13-10-24(11-14-31)35-23-7-5-20(6-8-23)25(34)30-15-22(33)17-32-12-9-19-3-1-2-4-21(19)16-32;1-28-11-12-30(24(17-28)19-31)15-20-5-4-8-22(13-20)26(33)27-14-25(32)18-29-10-9-21-6-2-3-7-23(21)16-29;31-15-14-28-10-12-29(13-11-28)18-21-4-3-7-23(16-21)26(33)27-17-25(32)20-30-9-8-22-5-1-2-6-24(22)19-30;1-27(18-25(29)19-28-12-9-22-6-2-3-7-24(22)17-28)26(30)23-8-4-5-21(16-23)15-20-10-13-31-14-11-20;1-34(31,32)28-14-11-24(12-15-28)33-23-8-6-20(7-9-23)25(30)26-16-22(29)18-27-13-10-19-4-2-3-5-21(19)17-27;1-26-25(30)11-5-7-19-6-4-10-21(16-19)24(29)13-12-23(28)18-27-15-14-20-8-2-3-9-22(20)17-27;1-19(27)6-4-7-20-8-5-11-22(16-20)25(29)13-12-24(28)18-26-15-14-21-9-2-3-10-23(21)17-26;27-19(15-26-11-10-16-6-4-5-9-18(16)14-26)12-23-22(28)20-13-24-25-21(20)17-7-2-1-3-8-17;27-20(13-25-10-9-16-3-1-2-4-18(16)12-25)11-23-21(28)17-5-7-19(8-6-17)26-15-22-14-24-26/h2-8,17,26,32H,9-16,18-21H2,1H3,(H,28,33);1-8,22,24,33H,9-18H2,(H,30,34);2-8,13,24-25,31-32H,9-12,14-19H2,1H3,(H,27,33);1-7,16,25,31-32H,8-15,17-20H2,(H,27,33);2-8,16,20,25,29H,9-15,17-19H2,1H3;2-9,22,24,29H,10-18H2,1H3,(H,26,30);2-4,6,8-10,16,23,28H,5,7,11-15,17-18H2,1H3,(H,26,30);2-3,5,8-11,16,24,28H,4,6-7,12-15,17-18H2,1H3;1-9,13,19,27H,10-12,14-15H2,(H,23,28)(H,24,25);1-8,14-15,20,27H,9-13H2,(H,23,28)/t;;;;25-;;;;;/m....0...../s1.

What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(4-oxopentyl)phenyl]pentan-1-one;4-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]-N-methylbutanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide?

5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(4-oxopentyl)phenyl]pentan-1-one;4-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]-N-methylbutanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 4329.55 g/mol, XLogP of 22.28, 82 rotatable bonds, 21 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(4-oxopentyl)phenyl]pentan-1-one;4-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]-N-methylbutanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]benzamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1,2,4-triazol-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 159382095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).