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

C108H114N8O12+2 — CID 159219426

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

[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-6-(hydroxymethyl)-1-methyl-5-phenylquinolin-1-ium-7-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-6-(hydroxymethyl)-5-phenylquinolin-7-yl]methanol;[2-(dimethylamino)-7-(hydroxymethyl)-1-methyl-3-(2-methyl-3-phenylphenyl)quinolin-1-ium-6-yl]methanol;[2-(dimethylamino)-7-(hydroxymethyl)-3-(2-methyl-3-phenylphenyl)quinolin-6-yl]methanol (PubChem CID 159219426) has the molecular formula C108H114N8O12+2 and a molecular weight of 1716.14 g/mol. Its IUPAC name is [3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-6-(hydroxymethyl)-1-methyl-5-phenylquinolin-1-ium-7-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-6-(hydroxymethyl)-5-phenylquinolin-7-yl]methanol;[2-(dimethylamino)-7-(hydroxymethyl)-1-methyl-3-(2-methyl-3-phenylphenyl)quinolin-1-ium-6-yl]methanol;[2-(dimethylamino)-7-(hydroxymethyl)-3-(2-methyl-3-phenylphenyl)quinolin-6-yl]methanol.

Molecular Properties

• Compound Name: [3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-6-(hydroxymethyl)-1-methyl-5-phenylquinolin-1-ium-7-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-6-(hydroxymethyl)-5-phenylquinolin-7-yl]methanol;[2-(dimethylamino)-7-(hydroxymethyl)-1-methyl-3-(2-methyl-3-phenylphenyl)quinolin-1-ium-6-yl]methanol;[2-(dimethylamino)-7-(hydroxymethyl)-3-(2-methyl-3-phenylphenyl)quinolin-6-yl]methanol
• PubChem CID: 159219426
• Molecular Formula: C108H114N8O12+2
• Molecular Weight: 1716.14 g/mol
• Exact Mass: 1714.85
• IUPAC Name: [3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-6-(hydroxymethyl)-1-methyl-5-phenylquinolin-1-ium-7-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-6-(hydroxymethyl)-5-phenylquinolin-7-yl]methanol;[2-(dimethylamino)-7-(hydroxymethyl)-1-methyl-3-(2-methyl-3-phenylphenyl)quinolin-1-ium-6-yl]methanol;[2-(dimethylamino)-7-(hydroxymethyl)-3-(2-methyl-3-phenylphenyl)quinolin-6-yl]methanol
• SMILES: COc1ccc(-c2cc3c(-c4ccccc4)c(CO)c(CO)cc3[n+](C)c2N(C)C)cc1OC.COc1ccc(-c2cc3c(-c4ccccc4)c(CO)c(CO)cc3nc2N(C)C)cc1OC.Cc1c(-c2ccccc2)cccc1-c1cc2cc(CO)c(CO)cc2[n+](C)c1N(C)C.Cc1c(-c2ccccc2)cccc1-c1cc2cc(CO)c(CO)cc2nc1N(C)C
• InChI: InChI=1S/C28H31N2O4.C27H28N2O4.C27H29N2O2.C26H26N2O2/c1-29(2)28-21(19-11-12-25(33-4)26(14-19)34-5)15-22-24(30(28)3)13-20(16-31)23(17-32)27(22)18-9-7-6-8-10-18;1-29(2)27-20(18-10-11-24(32-3)25(13-18)33-4)14-21-23(28-27)12-19(15-30)22(16-31)26(21)17-8-6-5-7-9-17;1-18-23(19-9-6-5-7-10-19)11-8-12-24(18)25-14-20-13-21(16-30)22(17-31)15-26(20)29(4)27(25)28(2)3;1-17-22(18-8-5-4-6-9-18)10-7-11-23(17)24-13-19-12-20(15-29)21(16-30)14-25(19)27-26(24)28(2)3/h6-15,31-32H,16-17H2,1-5H3;5-14,30-31H,15-16H2,1-4H3;5-15,30-31H,16-17H2,1-4H3;4-14,29-30H,15-16H2,1-3H3/q+1;;+1
• InChIKey: KRMMQYSGYBEING-UHFFFAOYSA-N
• XLogP: 17.99
• TPSA: 245.26 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1716.14
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-6-(hydroxymethyl)-1-methyl-5-phenylquinolin-1-ium-7-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-6-(hydroxymethyl)-5-phenylquinolin-7-yl]methanol;[2-(dimethylamino)-7-(hydroxymethyl)-1-methyl-3-(2-methyl-3-phenylphenyl)quinolin-1-ium-6-yl]methanol;[2-(dimethylamino)-7-(hydroxymethyl)-3-(2-methyl-3-phenylphenyl)quinolin-6-yl]methanol (CID 159219426) is [3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-6-(hydroxymethyl)-1-methyl-5-phenylquinolin-1-ium-7-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-6-(hydroxymethyl)-5-phenylquinolin-7-yl]methanol;[2-(dimethylamino)-7-(hydroxymethyl)-1-methyl-3-(2-methyl-3-phenylphenyl)quinolin-1-ium-6-yl]methanol;[2-(dimethylamino)-7-(hydroxymethyl)-3-(2-methyl-3-phenylphenyl)quinolin-6-yl]methanol.

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

The canonical SMILES for [3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-6-(hydroxymethyl)-1-methyl-5-phenylquinolin-1-ium-7-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-6-(hydroxymethyl)-5-phenylquinolin-7-yl]methanol;[2-(dimethylamino)-7-(hydroxymethyl)-1-methyl-3-(2-methyl-3-phenylphenyl)quinolin-1-ium-6-yl]methanol;[2-(dimethylamino)-7-(hydroxymethyl)-3-(2-methyl-3-phenylphenyl)quinolin-6-yl]methanol is COc1ccc(-c2cc3c(-c4ccccc4)c(CO)c(CO)cc3[n+](C)c2N(C)C)cc1OC.COc1ccc(-c2cc3c(-c4ccccc4)c(CO)c(CO)cc3nc2N(C)C)cc1OC.Cc1c(-c2ccccc2)cccc1-c1cc2cc(CO)c(CO)cc2[n+](C)c1N(C)C.Cc1c(-c2ccccc2)cccc1-c1cc2cc(CO)c(CO)cc2nc1N(C)C.

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

The InChIKey is KRMMQYSGYBEING-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N2O4.C27H28N2O4.C27H29N2O2.C26H26N2O2/c1-29(2)28-21(19-11-12-25(33-4)26(14-19)34-5)15-22-24(30(28)3)13-20(16-31)23(17-32)27(22)18-9-7-6-8-10-18;1-29(2)27-20(18-10-11-24(32-3)25(13-18)33-4)14-21-23(28-27)12-19(15-30)22(16-31)26(21)17-8-6-5-7-9-17;1-18-23(19-9-6-5-7-10-19)11-8-12-24(18)25-14-20-13-21(16-30)22(17-31)15-26(20)29(4)27(25)28(2)3;1-17-22(18-8-5-4-6-9-18)10-7-11-23(17)24-13-19-12-20(15-29)21(16-30)14-25(19)27-26(24)28(2)3/h6-15,31-32H,16-17H2,1-5H3;5-14,30-31H,15-16H2,1-4H3;5-15,30-31H,16-17H2,1-4H3;4-14,29-30H,15-16H2,1-3H3/q+1;;+1;.

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

[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-6-(hydroxymethyl)-1-methyl-5-phenylquinolin-1-ium-7-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-6-(hydroxymethyl)-5-phenylquinolin-7-yl]methanol;[2-(dimethylamino)-7-(hydroxymethyl)-1-methyl-3-(2-methyl-3-phenylphenyl)quinolin-1-ium-6-yl]methanol;[2-(dimethylamino)-7-(hydroxymethyl)-3-(2-methyl-3-phenylphenyl)quinolin-6-yl]methanol has a molecular weight of 1716.14 g/mol, XLogP of 17.99, 24 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-6-(hydroxymethyl)-1-methyl-5-phenylquinolin-1-ium-7-yl]methanol;[3-(3,4-dimethoxyphenyl)-2-(dimethylamino)-6-(hydroxymethyl)-5-phenylquinolin-7-yl]methanol;[2-(dimethylamino)-7-(hydroxymethyl)-1-methyl-3-(2-methyl-3-phenylphenyl)quinolin-1-ium-6-yl]methanol;[2-(dimethylamino)-7-(hydroxymethyl)-3-(2-methyl-3-phenylphenyl)quinolin-6-yl]methanol is sourced from PubChem (CID 159219426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).