7-bromo-8-methyl-3,4-dihydro-2H-isoquinolin-1-one;3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine;2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-8-methyl-1-oxo-3,4-dihydroisoquinoline-7-carboxylic acid;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;methane;methanol;8-methyl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-2H-isoquinolin-1-one;N-methylmethanamine;methyl 8-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-carboxylate;8-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;hydroxide;hydrochloride

C147H176BrCl2N15O20 — CID 160578793

About 7-bromo-8-methyl-3,4-dihydro-2H-isoquinolin-1-one;3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine;2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-8-methyl-1-oxo-3,4-dihydroisoquinoline-7-carboxylic acid;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;methane;methanol;8-methyl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-2H-isoquinolin-1-one;N-methylmethanamine;methyl 8-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-carboxylate;8-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;hydroxide;hydrochloride

7-bromo-8-methyl-3,4-dihydro-2H-isoquinolin-1-one;3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine;2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-8-methyl-1-oxo-3,4-dihydroisoquinoline-7-carboxylic acid;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;methane;methanol;8-methyl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-2H-isoquinolin-1-one;N-methylmethanamine;methyl 8-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-carboxylate;8-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;hydroxide;hydrochloride (PubChem CID 160578793) has the molecular formula C147H176BrCl2N15O20 and a molecular weight of 2623.92 g/mol. Its IUPAC name is 7-bromo-8-methyl-3,4-dihydro-2H-isoquinolin-1-one;3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine;2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-8-methyl-1-oxo-3,4-dihydroisoquinoline-7-carboxylic acid;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;methane;methanol;8-methyl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-2H-isoquinolin-1-one;N-methylmethanamine;methyl 8-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-carboxylate;8-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;hydroxide;hydrochloride.

Molecular Properties

• Compound Name: 7-bromo-8-methyl-3,4-dihydro-2H-isoquinolin-1-one;3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine;2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-8-methyl-1-oxo-3,4-dihydroisoquinoline-7-carboxylic acid;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;methane;methanol;8-methyl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-2H-isoquinolin-1-one;N-methylmethanamine;methyl 8-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-carboxylate;8-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;hydroxide;hydrochloride
• PubChem CID: 160578793
• Molecular Formula: C147H176BrCl2N15O20
• Molecular Weight: 2623.92 g/mol
• Exact Mass: 2620.18
• IUPAC Name: 7-bromo-8-methyl-3,4-dihydro-2H-isoquinolin-1-one;3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine;2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-8-methyl-1-oxo-3,4-dihydroisoquinoline-7-carboxylic acid;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;methane;methanol;8-methyl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-2H-isoquinolin-1-one;N-methylmethanamine;methyl 8-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-carboxylate;8-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;hydroxide;hydrochloride
• SMILES: C.CNC.CO.CO.COC(=O)c1ccc2c(c1C)C(=O)NCC2.Cc1c(Br)ccc2c1C(=O)NCC2.Cc1cc(C)c(CCl)c(OCc2ccccc2)n1.Cc1cc(C)c(CN2CCc3ccc(C(=O)N(C)C)c(C)c3C2=O)c(=O)[nH]1.Cc1cc(C)c(CN2CCc3ccc(C(=O)N(C)C)c(C)c3C2=O)c(OCc2ccccc2)n1.Cc1cc(C)c(CN2CCc3ccc(C(=O)O)c(C)c3C2=O)c(OCc2ccccc2)n1.Cc1cccc2c1C(=O)NCC2.Cc1cccc2c1C[NH2+]CC2.Cc1cccc2cc[nH]c(=O)c12.Cl.[OH-]
• InChI: InChI=1S/C28H31N3O3.C26H26N2O4.C21H25N3O3.C15H16ClNO.C12H13NO3.C10H10BrNO.C10H11NO.C10H9NO.C10H13N.C2H7N.2CH4O.CH4.ClH.H2O/c1-18-15-19(2)29-26(34-17-21-9-7-6-8-10-21)24(18)16-31-14-13-22-11-12-23(27(32)30(4)5)20(3)25(22)28(31)33;1-16-13-17(2)27-24(32-15-19-7-5-4-6-8-19)22(16)14-28-12-11-20-9-10-21(26(30)31)18(3)23(20)25(28)29;1-12-10-13(2)22-19(25)17(12)11-24-9-8-15-6-7-16(20(26)23(4)5)14(3)18(15)21(24)27;1-11-8-12(2)17-15(14(11)9-16)18-10-13-6-4-3-5-7-13;1-7-9(12(15)16-2)4-3-8-5-6-13-11(14)10(7)8;1-6-8(11)3-2-7-4-5-12-10(13)9(6)7;2*1-7-3-2-4-8-5-6-11-10(12)9(7)8;1-8-3-2-4-9-5-6-11-7-10(8)9;1-3-2;2*1-2;;;/h6-12,15H,13-14,16-17H2,1-5H3;4-10,13H,11-12,14-15H2,1-3H3,(H,30,31);6-7,10H,8-9,11H2,1-5H3,(H,22,25);3-8H,9-10H2,1-2H3;3-4H,5-6H2,1-2H3,(H,13,14);2-3H,4-5H2,1H3,(H,12,13);2-4H,5-6H2,1H3,(H,11,12);2-6H,1H3,(H,11,12);2-4,11H,5-7H2,1H3;3H,1-2H3;2*2H,1H3;1H4;1H;1H2
• InChIKey: WWAJSWBUQDINEA-UHFFFAOYSA-N
• XLogP: 21.96
• TPSA: 483.63 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2623.92
LogP ≤ 5	21.96
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-bromo-8-methyl-3,4-dihydro-2H-isoquinolin-1-one;3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine;2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-8-methyl-1-oxo-3,4-dihydroisoquinoline-7-carboxylic acid;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;methane;methanol;8-methyl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-2H-isoquinolin-1-one;N-methylmethanamine;methyl 8-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-carboxylate;8-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;hydroxide;hydrochloride?

The IUPAC name of 7-bromo-8-methyl-3,4-dihydro-2H-isoquinolin-1-one;3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine;2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-8-methyl-1-oxo-3,4-dihydroisoquinoline-7-carboxylic acid;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;methane;methanol;8-methyl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-2H-isoquinolin-1-one;N-methylmethanamine;methyl 8-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-carboxylate;8-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;hydroxide;hydrochloride (CID 160578793) is 7-bromo-8-methyl-3,4-dihydro-2H-isoquinolin-1-one;3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine;2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-8-methyl-1-oxo-3,4-dihydroisoquinoline-7-carboxylic acid;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;methane;methanol;8-methyl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-2H-isoquinolin-1-one;N-methylmethanamine;methyl 8-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-carboxylate;8-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;hydroxide;hydrochloride.

What is the SMILES notation for 7-bromo-8-methyl-3,4-dihydro-2H-isoquinolin-1-one;3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine;2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-8-methyl-1-oxo-3,4-dihydroisoquinoline-7-carboxylic acid;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;methane;methanol;8-methyl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-2H-isoquinolin-1-one;N-methylmethanamine;methyl 8-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-carboxylate;8-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;hydroxide;hydrochloride?

The canonical SMILES for 7-bromo-8-methyl-3,4-dihydro-2H-isoquinolin-1-one;3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine;2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-8-methyl-1-oxo-3,4-dihydroisoquinoline-7-carboxylic acid;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;methane;methanol;8-methyl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-2H-isoquinolin-1-one;N-methylmethanamine;methyl 8-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-carboxylate;8-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;hydroxide;hydrochloride is C.CNC.CO.CO.COC(=O)c1ccc2c(c1C)C(=O)NCC2.Cc1c(Br)ccc2c1C(=O)NCC2.Cc1cc(C)c(CCl)c(OCc2ccccc2)n1.Cc1cc(C)c(CN2CCc3ccc(C(=O)N(C)C)c(C)c3C2=O)c(=O)[nH]1.Cc1cc(C)c(CN2CCc3ccc(C(=O)N(C)C)c(C)c3C2=O)c(OCc2ccccc2)n1.Cc1cc(C)c(CN2CCc3ccc(C(=O)O)c(C)c3C2=O)c(OCc2ccccc2)n1.Cc1cccc2c1C(=O)NCC2.Cc1cccc2c1C[NH2+]CC2.Cc1cccc2cc[nH]c(=O)c12.Cl.[OH-].

What is the InChIKey of 7-bromo-8-methyl-3,4-dihydro-2H-isoquinolin-1-one;3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine;2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-8-methyl-1-oxo-3,4-dihydroisoquinoline-7-carboxylic acid;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;methane;methanol;8-methyl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-2H-isoquinolin-1-one;N-methylmethanamine;methyl 8-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-carboxylate;8-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;hydroxide;hydrochloride?

The InChIKey is WWAJSWBUQDINEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3.C26H26N2O4.C21H25N3O3.C15H16ClNO.C12H13NO3.C10H10BrNO.C10H11NO.C10H9NO.C10H13N.C2H7N.2CH4O.CH4.ClH.H2O/c1-18-15-19(2)29-26(34-17-21-9-7-6-8-10-21)24(18)16-31-14-13-22-11-12-23(27(32)30(4)5)20(3)25(22)28(31)33;1-16-13-17(2)27-24(32-15-19-7-5-4-6-8-19)22(16)14-28-12-11-20-9-10-21(26(30)31)18(3)23(20)25(28)29;1-12-10-13(2)22-19(25)17(12)11-24-9-8-15-6-7-16(20(26)23(4)5)14(3)18(15)21(24)27;1-11-8-12(2)17-15(14(11)9-16)18-10-13-6-4-3-5-7-13;1-7-9(12(15)16-2)4-3-8-5-6-13-11(14)10(7)8;1-6-8(11)3-2-7-4-5-12-10(13)9(6)7;2*1-7-3-2-4-8-5-6-11-10(12)9(7)8;1-8-3-2-4-9-5-6-11-7-10(8)9;1-3-2;2*1-2;;;/h6-12,15H,13-14,16-17H2,1-5H3;4-10,13H,11-12,14-15H2,1-3H3,(H,30,31);6-7,10H,8-9,11H2,1-5H3,(H,22,25);3-8H,9-10H2,1-2H3;3-4H,5-6H2,1-2H3,(H,13,14);2-3H,4-5H2,1H3,(H,12,13);2-4H,5-6H2,1H3,(H,11,12);2-6H,1H3,(H,11,12);2-4,11H,5-7H2,1H3;3H,1-2H3;2*2H,1H3;1H4;1H;1H2.

What are the key properties of 7-bromo-8-methyl-3,4-dihydro-2H-isoquinolin-1-one;3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine;2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-8-methyl-1-oxo-3,4-dihydroisoquinoline-7-carboxylic acid;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;methane;methanol;8-methyl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-2H-isoquinolin-1-one;N-methylmethanamine;methyl 8-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-carboxylate;8-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;hydroxide;hydrochloride?

7-bromo-8-methyl-3,4-dihydro-2H-isoquinolin-1-one;3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine;2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-8-methyl-1-oxo-3,4-dihydroisoquinoline-7-carboxylic acid;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;methane;methanol;8-methyl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-2H-isoquinolin-1-one;N-methylmethanamine;methyl 8-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-carboxylate;8-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;hydroxide;hydrochloride has a molecular weight of 2623.92 g/mol, XLogP of 21.96, 20 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-8-methyl-3,4-dihydro-2H-isoquinolin-1-one;3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine;2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-8-methyl-1-oxo-3,4-dihydroisoquinoline-7-carboxylic acid;2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-N,N,8-trimethyl-1-oxo-3,4-dihydroisoquinoline-7-carboxamide;methane;methanol;8-methyl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-2H-isoquinolin-1-one;N-methylmethanamine;methyl 8-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-carboxylate;8-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;hydroxide;hydrochloride is sourced from PubChem (CID 160578793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).