sodium;2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;hydroxide

C79H63Cl12N6NaO7 — CID 159800817

About sodium;2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;hydroxide

sodium;2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;hydroxide (PubChem CID 159800817) has the molecular formula C79H63Cl12N6NaO7 and a molecular weight of 1656.83 g/mol. Its IUPAC name is sodium;2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;hydroxide.

Molecular Properties

• Compound Name: sodium;2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;hydroxide
• PubChem CID: 159800817
• Molecular Formula: C79H63Cl12N6NaO7
• Molecular Weight: 1656.83 g/mol
• Exact Mass: 1650.09
• IUPAC Name: sodium;2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;hydroxide
• SMILES: CN(Cc1c(Cl)cccc1Cl)C(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)C(=O)O.COC(=O)C(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)N(C)Cc1c(Cl)cccc1Cl.COC(=O)C(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NCc1c(Cl)cccc1Cl.[Na+].[OH-]
• InChI: InChI=1S/C27H22Cl4N2O2.2C26H20Cl4N2O2.Na.H2O/c1-33(15-18-19(28)5-3-6-20(18)29)25(27(34)35-2)14-16-9-11-23-17(13-16)10-12-24(32-23)26-21(30)7-4-8-22(26)31;1-32(14-17-18(27)4-2-5-19(17)28)24(26(33)34)13-15-8-10-22-16(12-15)9-11-23(31-22)25-20(29)6-3-7-21(25)30;1-34-26(33)24(31-14-17-18(27)4-2-5-19(17)28)13-15-8-10-22-16(12-15)9-11-23(32-22)25-20(29)6-3-7-21(25)30;;/h3-13,25H,14-15H2,1-2H3;2-12,24H,13-14H2,1H3,(H,33,34);2-12,24,31H,13-14H2,1H3;;1H2/q;;;+1;/p-1
• InChIKey: NJTMWTKZWBMJFO-UHFFFAOYSA-M
• XLogP: 19.59
• TPSA: 177.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1656.83
LogP ≤ 5	19.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of sodium;2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;hydroxide?

The IUPAC name of sodium;2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;hydroxide (CID 159800817) is sodium;2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;hydroxide.

What is the SMILES notation for sodium;2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;hydroxide?

The canonical SMILES for sodium;2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;hydroxide is CN(Cc1c(Cl)cccc1Cl)C(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)C(=O)O.COC(=O)C(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)N(C)Cc1c(Cl)cccc1Cl.COC(=O)C(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NCc1c(Cl)cccc1Cl.[Na+].[OH-].

What is the InChIKey of sodium;2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;hydroxide?

The InChIKey is NJTMWTKZWBMJFO-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H22Cl4N2O2.2C26H20Cl4N2O2.Na.H2O/c1-33(15-18-19(28)5-3-6-20(18)29)25(27(34)35-2)14-16-9-11-23-17(13-16)10-12-24(32-23)26-21(30)7-4-8-22(26)31;1-32(14-17-18(27)4-2-5-19(17)28)24(26(33)34)13-15-8-10-22-16(12-15)9-11-23(31-22)25-20(29)6-3-7-21(25)30;1-34-26(33)24(31-14-17-18(27)4-2-5-19(17)28)13-15-8-10-22-16(12-15)9-11-23(32-22)25-20(29)6-3-7-21(25)30;;/h3-13,25H,14-15H2,1-2H3;2-12,24H,13-14H2,1H3,(H,33,34);2-12,24,31H,13-14H2,1H3;;1H2/q;;;+1;/p-1.

What are the key properties of sodium;2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;hydroxide?

sodium;2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;hydroxide has a molecular weight of 1656.83 g/mol, XLogP of 19.59, 21 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid;methyl 2-[(2,6-dichlorophenyl)methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;methyl 2-[(2,6-dichlorophenyl)methyl-methylamino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate;hydroxide is sourced from PubChem (CID 159800817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).