7-bromo-3,4-dihydro-2H-isoquinolin-1-one;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidine-1-carboxylate;tert-butyl 2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)boronic acid;7-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-isoquinolin-1-one;2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;7-(4-chloro-2-fluorophenyl)-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one

C198H210BBrCl8F7N19O24 — CID 161275012

About 7-bromo-3,4-dihydro-2H-isoquinolin-1-one;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidine-1-carboxylate;tert-butyl 2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)boronic acid;7-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-isoquinolin-1-one;2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;7-(4-chloro-2-fluorophenyl)-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one

7-bromo-3,4-dihydro-2H-isoquinolin-1-one;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidine-1-carboxylate;tert-butyl 2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)boronic acid;7-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-isoquinolin-1-one;2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;7-(4-chloro-2-fluorophenyl)-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one (PubChem CID 161275012) has the molecular formula C198H210BBrCl8F7N19O24 and a molecular weight of 3747.29 g/mol. Its IUPAC name is 7-bromo-3,4-dihydro-2H-isoquinolin-1-one;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidine-1-carboxylate;tert-butyl 2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)boronic acid;7-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-isoquinolin-1-one;2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;7-(4-chloro-2-fluorophenyl)-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

• Compound Name: 7-bromo-3,4-dihydro-2H-isoquinolin-1-one;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidine-1-carboxylate;tert-butyl 2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)boronic acid;7-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-isoquinolin-1-one;2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;7-(4-chloro-2-fluorophenyl)-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one
• PubChem CID: 161275012
• Molecular Formula: C198H210BBrCl8F7N19O24
• Molecular Weight: 3747.29 g/mol
• Exact Mass: 3740.25
• IUPAC Name: 7-bromo-3,4-dihydro-2H-isoquinolin-1-one;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidine-1-carboxylate;tert-butyl 2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)boronic acid;7-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-isoquinolin-1-one;2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;7-(4-chloro-2-fluorophenyl)-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one
• SMILES: CC(C)(C)OC(=O)N1CC=C(N2CCc3ccc(-c4ccc(Cl)cc4F)cc3C2=O)CC1.CC(C)(C)OC(=O)N1CCC(N2CCc3ccc(-c4ccc(Cl)cc4F)cc3C2=O)CC1.CC(C)(C)OC(=O)c1ccc2nc(CCl)n(C[C@@H]3CCO3)c2c1.CC(C)(C)OC(=O)c1ccc2nc(CN3CCC(N4CCc5ccc(-c6ccc(Cl)cc6F)cc5C4=O)CC3)n(C[C@@H]3CCO3)c2c1.CC1=CCN(C(=O)OC(C)(C)C)CC1.O=C(O)c1ccc2nc(CN3CCC(N4CCc5ccc(-c6ccc(Cl)cc6F)cc5C4=O)CC3)n(C[C@@H]3CCO3)c2c1.O=C1NCCc2ccc(-c3ccc(Cl)cc3F)cc21.O=C1NCCc2ccc(Br)cc21.O=C1c2cc(-c3ccc(Cl)cc3F)ccc2CCN1C1CCNCC1.OB(O)c1ccc(Cl)cc1F
• InChI: InChI=1S/C37H40ClFN4O4.C33H32ClFN4O4.C25H28ClFN2O3.C25H26ClFN2O3.C20H20ClFN2O.C17H21ClN2O3.C15H11ClFNO.C11H19NO2.C9H8BrNO.C6H5BClFO2/c1-37(2,3)47-36(45)25-6-9-32-33(19-25)43(21-28-13-17-46-28)34(40-32)22-41-14-11-27(12-15-41)42-16-10-23-4-5-24(18-30(23)35(42)44)29-8-7-26(38)20-31(29)39;34-23-4-5-26(28(35)17-23)21-2-1-20-7-13-38(32(40)27(20)15-21)24-8-11-37(12-9-24)19-31-36-29-6-3-22(33(41)42)16-30(29)39(31)18-25-10-14-43-25;2*1-25(2,3)32-24(31)28-11-9-19(10-12-28)29-13-8-16-4-5-17(14-21(16)23(29)30)20-7-6-18(26)15-22(20)27;21-15-3-4-17(19(22)12-15)14-2-1-13-7-10-24(20(25)18(13)11-14)16-5-8-23-9-6-16;1-17(2,3)23-16(21)11-4-5-13-14(8-11)20(15(9-18)19-13)10-12-6-7-22-12;16-11-3-4-12(14(17)8-11)10-2-1-9-5-6-18-15(19)13(9)7-10;1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;10-7-2-1-6-3-4-11-9(12)8(6)5-7;8-4-1-2-5(7(10)11)6(9)3-4/h4-9,18-20,27-28H,10-17,21-22H2,1-3H3;1-6,15-17,24-25H,7-14,18-19H2,(H,41,42);4-7,14-15,19H,8-13H2,1-3H3;4-7,9,14-15H,8,10-13H2,1-3H3;1-4,11-12,16,23H,5-10H2;4-5,8,12H,6-7,9-10H2,1-3H3;1-4,7-8H,5-6H2,(H,18,19);5H,6-8H2,1-4H3;1-2,5H,3-4H2,(H,11,12);1-3,10-11H/t28-;25-;;;;12-;;;;/m00...0..../s1
• InChIKey: VEHZUPSXIZUFKI-GZPLGUPMSA-N
• XLogP: 39.08
• TPSA: 478.39 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 26
• Heavy Atoms: 258
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3747.29
LogP ≤ 5	39.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,4-dihydro-2H-isoquinolin-1-one;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidine-1-carboxylate;tert-butyl 2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)boronic acid;7-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-isoquinolin-1-one;2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;7-(4-chloro-2-fluorophenyl)-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one?

The IUPAC name of 7-bromo-3,4-dihydro-2H-isoquinolin-1-one;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidine-1-carboxylate;tert-butyl 2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)boronic acid;7-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-isoquinolin-1-one;2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;7-(4-chloro-2-fluorophenyl)-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one (CID 161275012) is 7-bromo-3,4-dihydro-2H-isoquinolin-1-one;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidine-1-carboxylate;tert-butyl 2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)boronic acid;7-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-isoquinolin-1-one;2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;7-(4-chloro-2-fluorophenyl)-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one.

What is the SMILES notation for 7-bromo-3,4-dihydro-2H-isoquinolin-1-one;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidine-1-carboxylate;tert-butyl 2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)boronic acid;7-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-isoquinolin-1-one;2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;7-(4-chloro-2-fluorophenyl)-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one?

The canonical SMILES for 7-bromo-3,4-dihydro-2H-isoquinolin-1-one;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidine-1-carboxylate;tert-butyl 2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)boronic acid;7-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-isoquinolin-1-one;2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;7-(4-chloro-2-fluorophenyl)-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one is CC(C)(C)OC(=O)N1CC=C(N2CCc3ccc(-c4ccc(Cl)cc4F)cc3C2=O)CC1.CC(C)(C)OC(=O)N1CCC(N2CCc3ccc(-c4ccc(Cl)cc4F)cc3C2=O)CC1.CC(C)(C)OC(=O)c1ccc2nc(CCl)n(C[C@@H]3CCO3)c2c1.CC(C)(C)OC(=O)c1ccc2nc(CN3CCC(N4CCc5ccc(-c6ccc(Cl)cc6F)cc5C4=O)CC3)n(C[C@@H]3CCO3)c2c1.CC1=CCN(C(=O)OC(C)(C)C)CC1.O=C(O)c1ccc2nc(CN3CCC(N4CCc5ccc(-c6ccc(Cl)cc6F)cc5C4=O)CC3)n(C[C@@H]3CCO3)c2c1.O=C1NCCc2ccc(-c3ccc(Cl)cc3F)cc21.O=C1NCCc2ccc(Br)cc21.O=C1c2cc(-c3ccc(Cl)cc3F)ccc2CCN1C1CCNCC1.OB(O)c1ccc(Cl)cc1F.

What is the InChIKey of 7-bromo-3,4-dihydro-2H-isoquinolin-1-one;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidine-1-carboxylate;tert-butyl 2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)boronic acid;7-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-isoquinolin-1-one;2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;7-(4-chloro-2-fluorophenyl)-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one?

The InChIKey is VEHZUPSXIZUFKI-GZPLGUPMSA-N. The full InChI is InChI=1S/C37H40ClFN4O4.C33H32ClFN4O4.C25H28ClFN2O3.C25H26ClFN2O3.C20H20ClFN2O.C17H21ClN2O3.C15H11ClFNO.C11H19NO2.C9H8BrNO.C6H5BClFO2/c1-37(2,3)47-36(45)25-6-9-32-33(19-25)43(21-28-13-17-46-28)34(40-32)22-41-14-11-27(12-15-41)42-16-10-23-4-5-24(18-30(23)35(42)44)29-8-7-26(38)20-31(29)39;34-23-4-5-26(28(35)17-23)21-2-1-20-7-13-38(32(40)27(20)15-21)24-8-11-37(12-9-24)19-31-36-29-6-3-22(33(41)42)16-30(29)39(31)18-25-10-14-43-25;2*1-25(2,3)32-24(31)28-11-9-19(10-12-28)29-13-8-16-4-5-17(14-21(16)23(29)30)20-7-6-18(26)15-22(20)27;21-15-3-4-17(19(22)12-15)14-2-1-13-7-10-24(20(25)18(13)11-14)16-5-8-23-9-6-16;1-17(2,3)23-16(21)11-4-5-13-14(8-11)20(15(9-18)19-13)10-12-6-7-22-12;16-11-3-4-12(14(17)8-11)10-2-1-9-5-6-18-15(19)13(9)7-10;1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;10-7-2-1-6-3-4-11-9(12)8(6)5-7;8-4-1-2-5(7(10)11)6(9)3-4/h4-9,18-20,27-28H,10-17,21-22H2,1-3H3;1-6,15-17,24-25H,7-14,18-19H2,(H,41,42);4-7,14-15,19H,8-13H2,1-3H3;4-7,9,14-15H,8,10-13H2,1-3H3;1-4,11-12,16,23H,5-10H2;4-5,8,12H,6-7,9-10H2,1-3H3;1-4,7-8H,5-6H2,(H,18,19);5H,6-8H2,1-4H3;1-2,5H,3-4H2,(H,11,12);1-3,10-11H/t28-;25-;;;;12-;;;;/m00...0..../s1.

What are the key properties of 7-bromo-3,4-dihydro-2H-isoquinolin-1-one;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidine-1-carboxylate;tert-butyl 2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)boronic acid;7-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-isoquinolin-1-one;2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;7-(4-chloro-2-fluorophenyl)-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one?

7-bromo-3,4-dihydro-2H-isoquinolin-1-one;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidine-1-carboxylate;tert-butyl 2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)boronic acid;7-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-isoquinolin-1-one;2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;7-(4-chloro-2-fluorophenyl)-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one has a molecular weight of 3747.29 g/mol, XLogP of 39.08, 26 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-3,4-dihydro-2H-isoquinolin-1-one;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidine-1-carboxylate;tert-butyl 2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;(4-chloro-2-fluorophenyl)boronic acid;7-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-isoquinolin-1-one;2-[[4-[7-(4-chloro-2-fluorophenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;7-(4-chloro-2-fluorophenyl)-2-piperidin-4-yl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 161275012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).