[3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methylquinolin-1-ium-6-yl]methanol;[3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)quinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methyl-4-phenylquinolin-1-ium-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-(hydroxymethyl)-1-methylquinolin-1-ium-7-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-4-phenylquinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-methoxyquinolin-7-yl]methanol

C155H173N12O24+3 — CID 158451750

About [3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methylquinolin-1-ium-6-yl]methanol;[3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)quinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methyl-4-phenylquinolin-1-ium-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-(hydroxymethyl)-1-methylquinolin-1-ium-7-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-4-phenylquinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-methoxyquinolin-7-yl]methanol

[3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methylquinolin-1-ium-6-yl]methanol;[3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)quinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methyl-4-phenylquinolin-1-ium-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-(hydroxymethyl)-1-methylquinolin-1-ium-7-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-4-phenylquinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-methoxyquinolin-7-yl]methanol (PubChem CID 158451750) has the molecular formula C155H173N12O24+3 and a molecular weight of 2588.15 g/mol. Its IUPAC name is [3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methylquinolin-1-ium-6-yl]methanol;[3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)quinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methyl-4-phenylquinolin-1-ium-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-(hydroxymethyl)-1-methylquinolin-1-ium-7-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-4-phenylquinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-methoxyquinolin-7-yl]methanol.

Molecular Properties

• Compound Name: [3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methylquinolin-1-ium-6-yl]methanol;[3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)quinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methyl-4-phenylquinolin-1-ium-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-(hydroxymethyl)-1-methylquinolin-1-ium-7-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-4-phenylquinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-methoxyquinolin-7-yl]methanol
• PubChem CID: 158451750
• Molecular Formula: C155H173N12O24+3
• Molecular Weight: 2588.15 g/mol
• Exact Mass: 2586.27
• IUPAC Name: [3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methylquinolin-1-ium-6-yl]methanol;[3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)quinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methyl-4-phenylquinolin-1-ium-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-(hydroxymethyl)-1-methylquinolin-1-ium-7-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-4-phenylquinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-methoxyquinolin-7-yl]methanol
• SMILES: COc1cc(Cc2ccccc2)c(-c2cc3cc(CO)c(CO)cc3[n+](C)c2N(C)C)cc1OC.COc1cc(Cc2ccccc2)c(-c2cc3cc(CO)c(CO)cc3nc2N(C)C)cc1OC.COc1ccc(-c2c(-c3ccccc3)c3cc(CO)c(CO)cc3[n+](C)c2N(C)C)cc1OC.COc1ccc(-c2c(N(C)C)nc3cc(CO)c(CO)cc3c2-c2ccccc2)cc1OC.COc1ccc(-c2cc3ccc(CO)c(CO)c3[n+](C)c2N(C)C)cc1OC.COc1ccc(-c2cc3ccc(CO)c(OC)c3nc2N(C)C)cc1OC
• InChI: InChI=1S/C29H33N2O4.C28H31N2O4.C28H30N2O4.C27H28N2O4.C22H27N2O4.C21H24N2O4/c1-30(2)29-25(13-21-12-22(17-32)23(18-33)14-26(21)31(29)3)24-16-28(35-5)27(34-4)15-20(24)11-19-9-7-6-8-10-19;1-29(2)28-27(19-11-12-24(33-4)25(15-19)34-5)26(18-9-7-6-8-10-18)22-13-20(16-31)21(17-32)14-23(22)30(28)3;1-30(2)28-24(12-20-11-21(16-31)22(17-32)13-25(20)29-28)23-15-27(34-4)26(33-3)14-19(23)10-18-8-6-5-7-9-18;1-29(2)27-26(18-10-11-23(32-3)24(14-18)33-4)25(17-8-6-5-7-9-17)21-12-19(15-30)20(16-31)13-22(21)28-27;1-23(2)22-17(14-8-9-19(27-4)20(11-14)28-5)10-15-6-7-16(12-25)18(13-26)21(15)24(22)3;1-23(2)21-16(13-8-9-17(25-3)18(11-13)26-4)10-14-6-7-15(12-24)20(27-5)19(14)22-21/h6-10,12-16,32-33H,11,17-18H2,1-5H3;6-15,31-32H,16-17H2,1-5H3;5-9,11-15,31-32H,10,16-17H2,1-4H3;5-14,30-31H,15-16H2,1-4H3;6-11,25-26H,12-13H2,1-5H3;6-11,24H,12H2,1-5H3/q2*+1;;;+1
• InChIKey: HEBWBOLGAVRLDI-UHFFFAOYSA-N
• XLogP: 23.14
• TPSA: 412.27 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 33
• Rotatable Bonds: 42
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2588.15
LogP ≤ 5	23.14
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methylquinolin-1-ium-6-yl]methanol;[3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)quinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methyl-4-phenylquinolin-1-ium-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-(hydroxymethyl)-1-methylquinolin-1-ium-7-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-4-phenylquinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-methoxyquinolin-7-yl]methanol?

The IUPAC name of [3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methylquinolin-1-ium-6-yl]methanol;[3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)quinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methyl-4-phenylquinolin-1-ium-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-(hydroxymethyl)-1-methylquinolin-1-ium-7-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-4-phenylquinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-methoxyquinolin-7-yl]methanol (CID 158451750) is [3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methylquinolin-1-ium-6-yl]methanol;[3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)quinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methyl-4-phenylquinolin-1-ium-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-(hydroxymethyl)-1-methylquinolin-1-ium-7-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-4-phenylquinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-methoxyquinolin-7-yl]methanol.

What is the SMILES notation for [3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methylquinolin-1-ium-6-yl]methanol;[3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)quinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methyl-4-phenylquinolin-1-ium-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-(hydroxymethyl)-1-methylquinolin-1-ium-7-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-4-phenylquinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-methoxyquinolin-7-yl]methanol?

The canonical SMILES for [3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methylquinolin-1-ium-6-yl]methanol;[3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)quinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methyl-4-phenylquinolin-1-ium-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-(hydroxymethyl)-1-methylquinolin-1-ium-7-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-4-phenylquinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-methoxyquinolin-7-yl]methanol is COc1cc(Cc2ccccc2)c(-c2cc3cc(CO)c(CO)cc3[n+](C)c2N(C)C)cc1OC.COc1cc(Cc2ccccc2)c(-c2cc3cc(CO)c(CO)cc3nc2N(C)C)cc1OC.COc1ccc(-c2c(-c3ccccc3)c3cc(CO)c(CO)cc3[n+](C)c2N(C)C)cc1OC.COc1ccc(-c2c(N(C)C)nc3cc(CO)c(CO)cc3c2-c2ccccc2)cc1OC.COc1ccc(-c2cc3ccc(CO)c(CO)c3[n+](C)c2N(C)C)cc1OC.COc1ccc(-c2cc3ccc(CO)c(OC)c3nc2N(C)C)cc1OC.

What is the InChIKey of [3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methylquinolin-1-ium-6-yl]methanol;[3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)quinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methyl-4-phenylquinolin-1-ium-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-(hydroxymethyl)-1-methylquinolin-1-ium-7-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-4-phenylquinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-methoxyquinolin-7-yl]methanol?

The InChIKey is HEBWBOLGAVRLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N2O4.C28H31N2O4.C28H30N2O4.C27H28N2O4.C22H27N2O4.C21H24N2O4/c1-30(2)29-25(13-21-12-22(17-32)23(18-33)14-26(21)31(29)3)24-16-28(35-5)27(34-4)15-20(24)11-19-9-7-6-8-10-19;1-29(2)28-27(19-11-12-24(33-4)25(15-19)34-5)26(18-9-7-6-8-10-18)22-13-20(16-31)21(17-32)14-23(22)30(28)3;1-30(2)28-24(12-20-11-21(16-31)22(17-32)13-25(20)29-28)23-15-27(34-4)26(33-3)14-19(23)10-18-8-6-5-7-9-18;1-29(2)27-26(18-10-11-23(32-3)24(14-18)33-4)25(17-8-6-5-7-9-17)21-12-19(15-30)20(16-31)13-22(21)28-27;1-23(2)22-17(14-8-9-19(27-4)20(11-14)28-5)10-15-6-7-16(12-25)18(13-26)21(15)24(22)3;1-23(2)21-16(13-8-9-17(25-3)18(11-13)26-4)10-14-6-7-15(12-24)20(27-5)19(14)22-21/h6-10,12-16,32-33H,11,17-18H2,1-5H3;6-15,31-32H,16-17H2,1-5H3;5-9,11-15,31-32H,10,16-17H2,1-4H3;5-14,30-31H,15-16H2,1-4H3;6-11,25-26H,12-13H2,1-5H3;6-11,24H,12H2,1-5H3/q2*+1;;;+1;.

What are the key properties of [3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methylquinolin-1-ium-6-yl]methanol;[3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)quinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methyl-4-phenylquinolin-1-ium-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-(hydroxymethyl)-1-methylquinolin-1-ium-7-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-4-phenylquinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-methoxyquinolin-7-yl]methanol?

[3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methylquinolin-1-ium-6-yl]methanol;[3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)quinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methyl-4-phenylquinolin-1-ium-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-(hydroxymethyl)-1-methylquinolin-1-ium-7-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-4-phenylquinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-methoxyquinolin-7-yl]methanol has a molecular weight of 2588.15 g/mol, XLogP of 23.14, 42 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methylquinolin-1-ium-6-yl]methanol;[3-(2-benzyl-4,5-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)quinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-1-methyl-4-phenylquinolin-1-ium-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-(hydroxymethyl)-1-methylquinolin-1-ium-7-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-7-(hydroxymethyl)-4-phenylquinolin-6-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-8-methoxyquinolin-7-yl]methanol is sourced from PubChem (CID 158451750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).